| Index | Reaction | Family | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 47. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds,OJ_pri) for rate rule (Cds-CsH_Cds-CsH,OJ_pri) C9H16(1)+OH(2)=C9H17O(40) 6.707e+11 0.340 -0.973 | ||||||||||||||
| Estimated using template (Cds_Cds,OJ_pri) for rate rule (Cds-CsH_Cds-CsH,OJ_pri) | ||||||||||||||
| 48. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds,OJ_pri) for rate rule (Cds-CsH_Cds-CsH,OJ_pri) C9H16(1)+OH(2)=C9H17O(41) 6.707e+11 0.340 -0.973 | ||||||||||||||
| Estimated using template (Cds_Cds,OJ_pri) for rate rule (Cds-CsH_Cds-CsH,OJ_pri) | ||||||||||||||
| 42. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C/H2/OneDeC,O_pri_rad) for rate rule (C/H2/CdCs,O_pri_rad) C9H16(1)+OH(2)=C9H15(8)+O(39) 4.720e+02 3.150 -3.048 | ||||||||||||||
| Estimated using template (C/H2/OneDeC,O_pri_rad) for rate rule (C/H2/CdCs,O_pri_rad) | ||||||||||||||
| 231. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/NonDeC,O2_birad) O2(3)+C9H17O(40)=S(108) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/NonDeC,O2_birad) | ||||||||||||||
| 514. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/NonDeC,O2_birad) O2(3)+C9H17O(41)=S(183) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/NonDeC,O2_birad) | ||||||||||||||
| 1094. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) O2(3)+C9H15(8)=S(301) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) | ||||||||||||||
| 2127. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) O(39)+S(301)=S(108) 2.213e+02 3.130 63.335 | ||||||||||||||
| Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) | ||||||||||||||
| 1097. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) O2(3)+C9H15(8)=S(302) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) | ||||||||||||||
| 3345. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(183)=C9H15(8)+S(672) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 3873. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (ROOH_sec,O_pri_rad) OH(2)+S(672)=O(39)+S(183) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (ROOH_sec,O_pri_rad) | ||||||||||||||
| 2202. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(108)=C9H15(8)+S(479) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 2730. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (ROOH_sec,O_pri_rad) OH(2)+S(479)=S(108)+O(39) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (ROOH_sec,O_pri_rad) | ||||||||||||||
| 9224. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CsJ-CsCsH) C9H17O(40)+S(672)=C9H17O(41)+S(479) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 9631. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(183)+S(479)=S(108)+S(672) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 2207. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(108)=S(480) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 10097. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) OH(2)+S(1589)=S(479) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) | ||||||||||||||
| 11300. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(480)=S(1589)+S(1825) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 15699. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Estimated using template (CO_O,CsJ) for rate rule (CO/H/Cs,CsJ-CdHH) C5H9(10)+S(2286)=S(1589) 1.000e+11 0.000 11.900 | ||||||||||||||
| Estimated using template (CO_O,CsJ) for rate rule (CO/H/Cs,CsJ-CdHH) | ||||||||||||||
| 19953. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) O2(3)+C5H9(10)=S(657) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) | ||||||||||||||
| 3350. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(183)=S(673) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 12327. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) C9H17O(41)+S(480)=C9H17O(40)+S(673) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 9025. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) OH(2)+S(1439)=S(672) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) | ||||||||||||||
| 15743. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Estimated using template (RnH,Y_rad_out,XH_out) for rate rule (R4H_SSS,O_rad_out,O_H_out) S(1589)=S(1439) 4.513e+06 1.580 30.105 | ||||||||||||||
| Estimated using template (RnH,Y_rad_out,XH_out) for rate rule (R4H_SSS,O_rad_out,O_H_out) | ||||||||||||||
| 17920. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(1439)+S(479)=S(672)+S(1589) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 26534. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(673)=S(1439)+S(1825) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 31695. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(673)+S(1589)=S(1439)+S(480) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 33247. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,C/H/NdNd_Rrad) for rate rule (O_pri_rad,C/H/NdNd_Orad) OH(2)+S(1439)=O(39)+S(4416) 1.210e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,C/H/NdNd_Rrad) for rate rule (O_pri_rad,C/H/NdNd_Orad) | ||||||||||||||
| 34065. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdNd_Orad) C9H15(8)+S(1439)=C9H16(1)+S(4416) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdNd_Orad) | ||||||||||||||
| 34150. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(108)+S(1439)=S(479)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 34384. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(183)+S(1439)=S(672)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 2208. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(108)=S(481) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 19786. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(481)=S(1589)+S(1825) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 19950. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H2/Cd,O2_birad) O2(3)+C5H9(10)=S(2844) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H2/Cd,O2_birad) | ||||||||||||||
| 3351. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(183)=S(674) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 36196. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(674)=S(1439)+S(1825) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 40944. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) C9H17O(41)+S(481)=C9H17O(40)+S(674) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 47267. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(1439)+S(481)=S(674)+S(1589) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 209. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/NonDeC,O_pri_rad) OH(2)+C9H17O(40)=S(106) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/NonDeC,O_pri_rad) | ||||||||||||||
| 492. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/NonDeC,O_pri_rad) OH(2)+C9H17O(41)=S(106) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/NonDeC,O_pri_rad) | ||||||||||||||
| 9228. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(40)+S(672)=S(1439)+S(106) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 9336. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(41)+S(672)=S(1439)+S(106) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 10299. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(40)+S(479)=S(1589)+S(106) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 10407. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(41)+S(479)=S(1589)+S(106) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 15810. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) C9H16(1)+S(1589)=C9H15(8)+S(106) 4.757e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 16341. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (O_pri,O_rad/NonDeC) OH(2)+S(106)=O(39)+S(1589) 1.730e+01 3.400 -1.140 | ||||||||||||||
| Exact match found for rate rule (O_pri,O_rad/NonDeC) | ||||||||||||||
| 17906. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(672)+S(1589)=S(183)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 18017. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(1589)+S(479)=S(108)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 33234. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) C9H16(1)+S(1439)=C9H15(8)+S(106) 4.757e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 33765. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (O_pri,O_rad/NonDeC) OH(2)+S(106)=O(39)+S(1439) 1.730e+01 3.400 -1.140 | ||||||||||||||
| Exact match found for rate rule (O_pri,O_rad/NonDeC) | ||||||||||||||
| 35330. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(672)+S(1439)=S(183)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 35440. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(1439)+S(479)=S(108)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 35871. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) S(1439)+S(1589)=S(106)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 37105. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) S(1439)+S(1439)=S(106)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 60644. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) C9H17O(40)+S(106)=C9H17O(41)+S(106) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 61904. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) S(1439)+S(106)=S(1589)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 4724. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(301)=S(883)+C9H15(8) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 5393. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(883)=O(39)+S(301) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 9481. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) S(883)+C9H17O(41)=C9H15(8)+S(672) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 9884. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(183)=S(672)+S(301) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 10101. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) S(883)+O(39)=S(479) 2.213e+02 3.130 63.335 | ||||||||||||||
| Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) | ||||||||||||||
| 10552. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) S(883)+C9H17O(40)=C9H15(8)+S(479) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 10954. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(883)=S(301)+S(479) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 34618. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(301)=S(883)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 61305. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(883)+S(1439)=S(301)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 61306. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(883)+S(1589)=S(301)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 6746. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(302)=C9H15(8)+S(1163) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 7415. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(1163)=O(39)+S(302) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 9529. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(1163)=C9H15(8)+S(672) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 10033. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(183)+S(1163)=S(672)+S(302) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 10600. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(1163)=C9H15(8)+S(479) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 11103. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(1163)=S(302)+S(479) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 34927. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(302)=S(1163)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 61462. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1163)+S(1439)=S(302)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 61463. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1163)+S(1589)=S(302)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 63784. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(1163)=S(883)+C9H15(8) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 64416. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(302)=S(1163)+S(301) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 23011. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO/H/NonDe,O_pri_rad) for rate rule (CO/H/Cs\Cs|Cs,O_pri_rad) OH(2)+S(2286)=O(39)+S(3215) 2.000e+06 1.800 -1.300 | ||||||||||||||
| Estimated using template (CO/H/NonDe,O_pri_rad) for rate rule (CO/H/Cs\Cs|Cs,O_pri_rad) | ||||||||||||||
| 23271. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,CO_sec_rad) for rate rule (C/H2/CdCs,CO_rad/NonDe) C9H16(1)+S(3215)=C9H15(8)+S(2286) 2.445e+04 2.765 14.735 | ||||||||||||||
| Estimated using template (C_sec,CO_sec_rad) for rate rule (C/H2/CdCs,CO_rad/NonDe) | ||||||||||||||
| 23340. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(3215)+S(479)=S(108)+S(2286) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 23412. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(672)+S(3215)=S(183)+S(2286) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 23500. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(883)+S(3215)=S(301)+S(2286) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 23594. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(1163)+S(3215)=S(302)+S(2286) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 23889. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) S(1589)+S(2286)=S(3215)+S(106) 3.010e+12 0.000 11.920 | ||||||||||||||
| Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) | ||||||||||||||
| 36506. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) S(1439)+S(2286)=S(3215)+S(106) 3.010e+12 0.000 11.920 | ||||||||||||||
| Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) | ||||||||||||||
| 39248. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdNd_Orad) S(1439)+S(3215)=S(2286)+S(4416) 1.810e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdNd_Orad) | ||||||||||||||
| 70316. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Exact match found for rate rule (CO_rad/NonDe,O2_birad) O2(3)+S(3215)=S(8951) 3.010e+12 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (CO_rad/NonDe,O2_birad) | ||||||||||||||
| 44. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,O_pri_rad) C9H16(1)+OH(2)=O(39)+C9H15(13) 2.820e+05 2.310 0.394 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,O_pri_rad) | ||||||||||||||
| 912. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S,C_rad_out_H/OneDe,Cs_H_out_2H) C9H15(8)=C9H15(13) 6.180e+09 1.220 47.800 | ||||||||||||||
| Exact match found for rate rule (R2H_S,C_rad_out_H/OneDe,Cs_H_out_2H) | ||||||||||||||
| 1014. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,C_rad/H/CdCs) C9H16(1)+C9H15(13)=C9H16(1)+C9H15(8) 3.612e-03 4.340 3.500 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,C_rad/H/CdCs) | ||||||||||||||
| 2204. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(479)=C9H16(1)+S(108) 2.510e-11 6.770 -8.600 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 3347. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(672)=C9H16(1)+S(183) 2.510e-11 6.770 -8.600 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 4726. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) S(883)+C9H15(13)=C9H16(1)+S(301) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 6748. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(1163)=C9H16(1)+S(302) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 15812. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) C9H15(13)+S(106)=C9H16(1)+S(1589) 1.440e+01 3.100 8.940 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) | ||||||||||||||
| 33236. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) C9H15(13)+S(106)=C9H16(1)+S(1439) 1.440e+01 3.100 8.940 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) | ||||||||||||||
| 37299. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cs,C/H/NdNd_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdNd_Orad) C9H15(13)+S(1439)=C9H16(1)+S(4416) 8.430e+11 0.000 0.000 | ||||||||||||||
| Estimated using template (C_rad/H2/Cs,C/H/NdNd_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdNd_Orad) | ||||||||||||||
| 70284. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,CO_rad/NonDe) C9H16(1)+S(3215)=C9H15(13)+S(2286) 1.812e+04 2.750 17.530 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,CO_rad/NonDe) | ||||||||||||||
| 1066. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Exact match found for rate rule (O_pri_rad,Cmethyl_Csrad) OH(2)+C9H15(8)=O(39)+C9H14(276) 7.230e+13 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_pri_rad,Cmethyl_Csrad) | ||||||||||||||
| 2078. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC,Cmethyl_Csrad) C9H15(8)+C9H15(8)=C9H16(1)+C9H14(276) 6.330e+14 -0.700 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC,Cmethyl_Csrad) | ||||||||||||||
| 3029. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) S(108)+C9H15(8)=C9H14(276)+S(479) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 4172. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(183)=S(672)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 5740. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(301)=S(883)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 7763. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(302)=S(1163)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 16640. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+S(1589)=C9H14(276)+S(106) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 34064. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+S(1439)=C9H14(276)+S(106) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 70589. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,Cmethyl_Csrad) C9H15(8)+S(3215)=C9H14(276)+S(2286) 5.430e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,Cmethyl_Csrad) | ||||||||||||||
| 76443. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) OH(2)+C9H15(13)=O(39)+C9H14(276) 4.820e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) | ||||||||||||||
| 77411. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs,Cmethyl_Csrad) C9H15(8)+C9H15(13)=C9H16(1)+C9H14(276) 1.150e+14 -0.350 0.000 | ||||||||||||||
| Exact match found for rate rule (C_rad/H2/Cs,Cmethyl_Csrad) | ||||||||||||||
| 77493. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(108)+C9H15(13)=C9H14(276)+S(479) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 77796. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(183)+C9H15(13)=S(672)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 78099. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(301)=S(883)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 78441. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(302)=S(1163)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 79613. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+S(1589)=C9H14(276)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 81110. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+S(1439)=C9H14(276)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 83324. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) C9H15(13)+S(3215)=C9H14(276)+S(2286) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) | ||||||||||||||
| 83636. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) C9H15(13)+C9H15(13)=C9H16(1)+C9H14(276) 2.009e+12 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) | ||||||||||||||
| 78069. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H2/Cs,O_rad/NonDe) S(183)+C9H15(13)=S(10089) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H2/Cs,O_rad/NonDe) | ||||||||||||||
| 77766. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H2/Cs,O_rad/NonDe) S(108)+C9H15(13)=S(10058) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H2/Cs,O_rad/NonDe) | ||||||||||||||
| 89367. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) C9H17O(40)+S(10089)=C9H17O(41)+S(10058) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 92050. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-Cs(CsHH)Os(Cs),OsJ-Cs) S(1589)+S(10089)=S(1439)+S(10058) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-Cs(CsHH)Os(Cs),OsJ-Cs) | ||||||||||||||
| 71049. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) S(672)+S(3215)=C9H17O(41)+S(9092) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) | ||||||||||||||
| 71087. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) S(3215)+S(479)=C9H17O(40)+S(9092) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) | ||||||||||||||
| 72264. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(883)+S(3215)=C9H15(8)+S(9092) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 72321. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(1163)+S(3215)=C9H15(8)+S(9092) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 72402. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(8951)=C9H15(8)+S(9092) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 72404. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(9092)=C9H16(1)+S(8951) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 72770. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(9092)=O(39)+S(8951) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 72955. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(8951)=C9H14(276)+S(9092) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 73780. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(672)+S(8951)=S(183)+S(9092) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 73859. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(479)+S(8951)=S(108)+S(9092) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 74584. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) ! Ea raised from 39.0 to 39.7 kJ/mol to match endothermicity of reaction. S(3215)+S(9092)=S(8951)+S(2286) 9.569e-04 4.450 9.493 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) Ea raised from 39.0 to 39.7 kJ/mol to match endothermicity of reaction. | ||||||||||||||
| 74993. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(8951)=S(9092)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 76016. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(9092)=S(106)+S(8951) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 76017. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(9092)=S(106)+S(8951) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 76107. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(8951)=S(301)+S(9092) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 76205. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1163)+S(8951)=S(302)+S(9092) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 83441. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(8951)=C9H14(276)+S(9092) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 83935. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd_sec,O_pri_rad) for rate rule (Cd/H/Cd,O_pri_rad) OH(2)+C9H14(276)=O(39)+S(10759) 1.110e+06 2.000 1.450 | ||||||||||||||
| Estimated using template (Cd_sec,O_pri_rad) for rate rule (Cd/H/Cd,O_pri_rad) | ||||||||||||||
| 84562. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,C_rad/H/CdCs) C9H16(1)+S(10759)=C9H15(8)+C9H14(276) 1.564e-02 4.340 6.400 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,C_rad/H/CdCs) | ||||||||||||||
| 84741. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) S(479)+S(10759)=S(108)+C9H14(276) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) | ||||||||||||||
| 84932. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) S(672)+S(10759)=S(183)+C9H14(276) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) | ||||||||||||||
| 85147. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(883)+S(10759)=C9H14(276)+S(301) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 85358. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(1163)+S(10759)=C9H14(276)+S(302) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 86104. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(276)+S(1589)=S(106)+S(10759) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 87073. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) S(1439)+C9H14(276)=S(106)+S(10759) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 87127. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdNd_Orad) S(1439)+S(10759)=C9H14(276)+S(4416) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdNd_Orad) | ||||||||||||||
| 88469. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/Cd) S(2286)+S(10759)=C9H14(276)+S(3215) 2.710e+03 2.810 5.860 | ||||||||||||||
| Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/Cd) | ||||||||||||||
| 88580. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(9092)+S(10759)=C9H14(276)+S(8951) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 88781. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,C_rad/H2/Cs) C9H15(13)+C9H14(276)=C9H16(1)+S(10759) 1.480e-03 4.340 9.700 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,C_rad/H2/Cs) | ||||||||||||||
| 88847. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H15(13)+S(10759)=C9H14(276)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 88848. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cmethyl_Csrad) C9H15(8)+S(10759)=C9H14(276)+C9H14(276) 1.938e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cmethyl_Csrad) | ||||||||||||||
| 106094. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (Cd_rad/Cd,O2_birad) O2(3)+S(10759)=S(14364) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (Cd_rad/Cd,O2_birad) | ||||||||||||||
| 21922. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(1443)=C5H9(10)+S(672) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 22050. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(1443)=C5H9(10)+S(479) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 24089. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(657)=C9H15(8)+S(1443) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 24091. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(1443)=C9H16(1)+S(657) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 24468. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(1443)=O(39)+S(657) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 24666. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(657)=S(1443)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 25534. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(183)+S(1443)=S(672)+S(657) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 25617. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(1443)=S(657)+S(479) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 26374. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(1443)+S(3215)=S(657)+S(2286) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 36518. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(657)=S(1443)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 62216. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(1443)=S(657)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 62217. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1443)+S(1589)=S(657)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 65206. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(1443)=S(883)+C5H9(10) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 65363. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(657)=S(1443)+S(301) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 68702. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(1443)=C5H9(10)+S(1163) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 68859. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(302)=S(1163)+S(657) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 80387. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(657)=S(1443)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 86563. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(1443)+S(10759)=C9H14(276)+S(657) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 104574. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(1443)+S(3215)=C5H9(10)+S(9092) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 104650. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(8951)=S(657)+S(9092) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 22489. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(3142)=C5H9(10)+S(480) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 24094. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(657)=S(3142) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 32303. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(3142)=C5H9(10)+S(673) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 129275. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) OH(2)+S(4452)=S(1443) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) | ||||||||||||||
| 129405. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(40)+S(1443)=S(106)+S(4452) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 129482. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(41)+S(1443)=S(106)+S(4452) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 130261. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(479)+S(4452)=S(1443)+S(1589) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 130684. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(672)+S(4452)=S(1439)+S(1443) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 132049. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(3142)=S(1825)+S(4452) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 136361. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(480)+S(4452)=S(1589)+S(3142) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 138195. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(673)+S(4452)=S(1439)+S(3142) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 143964. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Csec_Rrad) for rate rule (O_pri_rad,C/H/NdDe_Orad) OH(2)+S(4452)=O(39)+S(4939) 1.210e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Csec_Rrad) for rate rule (O_pri_rad,C/H/NdDe_Orad) | ||||||||||||||
| 144536. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) C9H15(8)+S(4452)=C9H16(1)+S(4939) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) | ||||||||||||||
| 144588. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(108)+S(4452)=S(479)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 144764. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(183)+S(4452)=S(672)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 144940. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(301)+S(4452)=S(883)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 145143. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(302)+S(4452)=S(1163)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 145826. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(1589)+S(4452)=S(106)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 146284. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(657)+S(4452)=S(1443)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 146707. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(1439)+S(4452)=S(106)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 148002. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdDe_Orad) S(3215)+S(4452)=S(4939)+S(2286) 1.810e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdDe_Orad) | ||||||||||||||
| 148069. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(8951)+S(4452)=S(4939)+S(9092) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 148186. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Csec_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdDe_Orad) C9H15(13)+S(4452)=C9H16(1)+S(4939) 5.418e+11 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Csec_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdDe_Orad) | ||||||||||||||
| 148906. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(4452)+S(10759)=C9H14(276)+S(4939) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 4729. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(301)=S(884) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 11282. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) S(884)+O(39)=S(480) 2.213e+02 3.130 63.335 | ||||||||||||||
| Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) | ||||||||||||||
| 12856. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) S(884)+C9H17O(40)=C9H15(8)+S(480) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 28089. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) S(884)+C9H17O(41)=C9H15(8)+S(673) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 133334. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(3142)=S(884)+C5H9(10) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 15737. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) O(39)+S(2322)=S(1589) 2.213e+02 3.130 63.335 | ||||||||||||||
| Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/Nd_Cd/H/Nd,H_OH) | ||||||||||||||
| 63165. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) OH(2)+S(2322)=S(883) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) | ||||||||||||||
| 63420. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(883)+C9H17O(40)=S(106)+S(2322) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 63561. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(883)+C9H17O(41)=S(106)+S(2322) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 64997. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(479)+S(2322)=S(883)+S(1589) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 65772. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(672)+S(2322)=S(883)+S(1439) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 147896. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(883)+S(4452)=S(1443)+S(2322) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 153710. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(884)=S(1825)+S(2322) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 159620. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(480)+S(2322)=S(884)+S(1589) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 162130. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(673)+S(2322)=S(884)+S(1439) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 170560. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(884)+S(4452)=S(2322)+S(3142) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 22962. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/Nd_Cd/H/De,H_OH) O(39)+S(3218)=S(2286) 4.080e+02 3.110 63.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Nd_Cd/H/De,H_OH) | ||||||||||||||
| 171270. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Estimated using template (CO_O,CsJ) for rate rule (CO/H/De_O,CsJ-CdHH) ! Ea raised from 58.7 to 63.6 kJ/mol to match endothermicity of reaction. C5H9(10)+S(3218)=S(2322) 1.000e+11 0.000 15.209 | ||||||||||||||
| Estimated using template (CO_O,CsJ) for rate rule (CO/H/De_O,CsJ-CdHH) Ea raised from 58.7 to 63.6 kJ/mol to match endothermicity of reaction. | ||||||||||||||
| 182699. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd_sec,O_pri_rad) for rate rule (Cd/H/CO,O_pri_rad) OH(2)+S(3218)=O(39)+S(22744) 1.110e+06 2.000 1.450 | ||||||||||||||
| Estimated using template (Cd_sec,O_pri_rad) for rate rule (Cd/H/CO,O_pri_rad) | ||||||||||||||
| 183053. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C/H2/OneDe,Cd_rad/OneDe) for rate rule (C/H2/CdCs,Cd_rad/CO) C9H16(1)+S(22744)=C9H15(8)+S(3218) 1.225e-02 4.340 7.867 | ||||||||||||||
| Estimated using template (C/H2/OneDe,Cd_rad/OneDe) for rate rule (C/H2/CdCs,Cd_rad/CO) | ||||||||||||||
| 183159. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/CO) S(479)+S(22744)=S(108)+S(3218) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/CO) | ||||||||||||||
| 183270. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/CO) S(672)+S(22744)=S(183)+S(3218) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/CO) | ||||||||||||||
| 183389. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(883)+S(22744)=S(301)+S(3218) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 183508. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(1163)+S(22744)=S(302)+S(3218) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 183951. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) S(1589)+S(3218)=S(106)+S(22744) 9.347e+05 2.095 5.343 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) | ||||||||||||||
| 184208. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(1443)+S(22744)=S(657)+S(3218) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 184511. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) S(1439)+S(3218)=S(106)+S(22744) 9.347e+05 2.095 5.343 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) | ||||||||||||||
| 184533. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdNd_Orad) S(1439)+S(22744)=S(3218)+S(4416) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdNd_Orad) | ||||||||||||||
| 185330. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/CO) S(2286)+S(22744)=S(3215)+S(3218) 2.710e+03 2.810 5.860 | ||||||||||||||
| Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/CO) | ||||||||||||||
| 185390. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(9092)+S(22744)=S(3218)+S(8951) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 185501. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd_sec,C_pri_rad) for rate rule (Cd/H/CO,C_rad/H2/Cs) C9H15(13)+S(3218)=C9H16(1)+S(22744) 4.577e-03 4.340 14.819 | ||||||||||||||
| Estimated using template (Cd_sec,C_pri_rad) for rate rule (Cd/H/CO,C_rad/H2/Cs) | ||||||||||||||
| 185530. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H15(13)+S(22744)=C9H14(276)+S(3218) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 185532. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cmethyl_Csrad) C9H15(8)+S(22744)=C9H14(276)+S(3218) 1.938e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cmethyl_Csrad) | ||||||||||||||
| 186035. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd/H/OneDe,Cd_rad/OneDe) for rate rule (Cd/H/CO,Cd_rad/Cd) S(3218)+S(10759)=C9H14(276)+S(22744) 5.634e-03 4.340 12.567 | ||||||||||||||
| Estimated using template (Cd/H/OneDe,Cd_rad/OneDe) for rate rule (Cd/H/CO,Cd_rad/Cd) | ||||||||||||||
| 186478. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(4452)+S(22744)=S(3218)+S(4939) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 187010. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (Cd_rad/OneDe,O2_birad) O2(3)+S(22744)=S(23456) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (Cd_rad/OneDe,O2_birad) | ||||||||||||||
| 24095. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(657)=S(3405) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 45684. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(3405)=C5H9(10)+S(481) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 57162. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(3405)=C5H9(10)+S(674) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 146068. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(3405)=S(1825)+S(4452) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 147278. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(481)+S(4452)=S(1589)+S(3405) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 147701. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(674)+S(4452)=S(1439)+S(3405) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 45. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,O_pri_rad) C9H16(1)+OH(2)=O(39)+C9H15(14) 2.220e+06 2.000 1.450 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,O_pri_rad) | ||||||||||||||
| 913. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Estimated using template (R2H,Cd_rad_out_double,Cs_H_out_1H) for rate rule (R2H_S,Cd_rad_out_double,Cs_H_out_H/NonDeC) C9H15(14)=C9H15(8) 2.896e+10 0.820 37.500 | ||||||||||||||
| Estimated using template (R2H,Cd_rad_out_double,Cs_H_out_1H) for rate rule (R2H_S,Cd_rad_out_double,Cs_H_out_H/NonDeC) | ||||||||||||||
| 1015. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,C_rad/H/CdCs) C9H16(1)+C9H15(14)=C9H16(1)+C9H15(8) 1.564e-02 4.340 -1.600 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,C_rad/H/CdCs) | ||||||||||||||
| 2205. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) C9H15(14)+S(479)=C9H16(1)+S(108) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) | ||||||||||||||
| 3348. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) C9H15(14)+S(672)=C9H16(1)+S(183) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) | ||||||||||||||
| 4727. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) S(883)+C9H15(14)=C9H16(1)+S(301) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 6749. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(1163)=C9H16(1)+S(302) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 15813. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H15(14)+S(106)=C9H16(1)+S(1589) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 24092. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(1443)=C9H16(1)+S(657) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 33237. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H15(14)+S(106)=C9H16(1)+S(1439) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 37300. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdNd_Orad) C9H15(14)+S(1439)=C9H16(1)+S(4416) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 70285. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/NonDeC) C9H15(14)+S(2286)=C9H16(1)+S(3215) 2.710e+03 2.810 5.860 | ||||||||||||||
| Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/NonDeC) | ||||||||||||||
| 72405. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(9092)=C9H16(1)+S(8951) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 76359. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Exact match found for rate rule (R3H_SS,C_rad_out_2H,Cd_H_out_doubleC) C9H15(14)=C9H15(13) 4.608e+09 1.240 36.300 | ||||||||||||||
| Exact match found for rate rule (R3H_SS,C_rad_out_2H,Cd_H_out_doubleC) | ||||||||||||||
| 76435. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,C_rad/H2/Cs) C9H16(1)+C9H15(13)=C9H16(1)+C9H15(14) 2.560e-03 4.340 9.700 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,C_rad/H2/Cs) | ||||||||||||||
| 83893. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+C9H15(14)=C9H16(1)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 83896. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+C9H15(14)=C9H16(1)+C9H14(276) 1.938e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 105983. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,Cd_rad/Cd) C9H15(14)+C9H14(276)=C9H16(1)+S(10759) 6.420e-03 4.340 4.500 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,Cd_rad/Cd) | ||||||||||||||
| 149793. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) C9H15(14)+S(4452)=C9H16(1)+S(4939) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 186933. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd_sec,Cd_sec_rad) for rate rule (Cd/H/CO,Cd_rad/NonDeC) C9H15(14)+S(3218)=C9H16(1)+S(22744) 5.781e-03 4.340 6.104 | ||||||||||||||
| Estimated using template (Cd_sec,Cd_sec_rad) for rate rule (Cd/H/CO,Cd_rad/NonDeC) | ||||||||||||||
| 43. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_pri_rad) for rate rule (C/H2/CdCd,O_pri_rad) C9H16(1)+OH(2)=O(39)+C9H15(12) 5.097e+06 1.913 -0.509 | ||||||||||||||
| Estimated using template (C_sec,O_pri_rad) for rate rule (C/H2/CdCd,O_pri_rad) | ||||||||||||||
| 915. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Estimated using template (R4H,C_rad_out_1H,Cs_H_out_1H) for rate rule (R4H_SDS,C_rad_out_H/NonDeC,Cs_H_out_H/Cd) C9H15(8)=C9H15(12) 1.669e+08 0.975 59.630 | ||||||||||||||
| Estimated using template (R4H,C_rad_out_1H,Cs_H_out_1H) for rate rule (R4H_SDS,C_rad_out_H/NonDeC,Cs_H_out_H/Cd) | ||||||||||||||
| 1013. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd,C_rad/H/CdCs) C9H16(1)+C9H15(8)=C9H16(1)+C9H15(12) 1.962e-03 4.340 6.300 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCd,C_rad/H/CdCs) | ||||||||||||||
| 2203. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(108)=C9H15(12)+S(479) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 3346. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(183)=C9H15(12)+S(672) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 4725. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(301)=S(883)+C9H15(12) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 6747. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(302)=C9H15(12)+S(1163) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 15811. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) C9H16(1)+S(1589)=C9H15(12)+S(106) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) | ||||||||||||||
| 24090. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(657)=C9H15(12)+S(1443) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 33235. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) C9H16(1)+S(1439)=C9H15(12)+S(106) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) | ||||||||||||||
| 37298. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdNd_Orad) C9H15(12)+S(1439)=C9H16(1)+S(4416) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdNd_Orad) | ||||||||||||||
| 70283. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,CO_sec_rad) for rate rule (C/H2/CdCd,CO_rad/NonDe) C9H16(1)+S(3215)=C9H15(12)+S(2286) 1.223e+04 2.765 14.735 | ||||||||||||||
| Estimated using template (C_sec,CO_sec_rad) for rate rule (C/H2/CdCd,CO_rad/NonDe) | ||||||||||||||
| 72403. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(8951)=C9H15(12)+S(9092) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 76361. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Estimated using template (R5Hall,C_rad_out_single,Cs_H_out) for rate rule (R5H_SSMS,C_rad_out_2H,Cs_H_out_H/Cd) C9H15(13)=C9H15(12) 1.062e+06 1.580 12.070 | ||||||||||||||
| Estimated using template (R5Hall,C_rad_out_single,Cs_H_out) for rate rule (R5H_SSMS,C_rad_out_2H,Cs_H_out_H/Cd) | ||||||||||||||
| 76434. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd,C_rad/H2/Cs) C9H16(1)+C9H15(13)=C9H16(1)+C9H15(12) 2.440e-03 4.340 1.000 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCd,C_rad/H2/Cs) | ||||||||||||||
| 83892. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) C9H15(12)+C9H15(13)=C9H16(1)+C9H14(276) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) | ||||||||||||||
| 83895. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cmethyl_Rrad) for rate rule (C_rad/H/TwoDe,Cmethyl_Csrad) C9H15(8)+C9H15(12)=C9H16(1)+C9H14(276) 6.330e+14 -0.700 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Cmethyl_Rrad) for rate rule (C_rad/H/TwoDe,Cmethyl_Csrad) | ||||||||||||||
| 105982. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd,Cd_rad/Cd) C9H16(1)+S(10759)=C9H15(12)+C9H14(276) 1.054e-02 4.340 4.800 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCd,Cd_rad/Cd) | ||||||||||||||
| 149792. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdDe_Orad) C9H15(12)+S(4452)=C9H16(1)+S(4939) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdDe_Orad) | ||||||||||||||
| 186932. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C/H2/TwoDe,Cd_rad/OneDe) for rate rule (C/H2/CdCd,Cd_rad/CO) C9H16(1)+S(22744)=C9H15(12)+S(3218) 1.263e-02 4.340 6.517 | ||||||||||||||
| Estimated using template (C/H2/TwoDe,Cd_rad/OneDe) for rate rule (C/H2/CdCd,Cd_rad/CO) | ||||||||||||||
| 219639. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Estimated using template (R3Hall,Cd_rad_out_single,Cs_H_out) for rate rule (R3H_DS,Cd_rad_out_singleNd,Cs_H_out_H/Cd) C9H15(14)=C9H15(12) 4.410e+10 0.725 32.950 | ||||||||||||||
| Estimated using template (R3Hall,Cd_rad_out_single,Cs_H_out) for rate rule (R3H_DS,Cd_rad_out_singleNd,Cs_H_out_H/Cd) | ||||||||||||||
| 219692. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd,Cd_rad/NonDeC) C9H16(1)+C9H15(14)=C9H16(1)+C9H15(12) 1.058e-02 4.340 -4.200 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCd,Cd_rad/NonDeC) | ||||||||||||||
| 3271. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) O(39)+S(655)=S(183) 1.200e+02 3.150 63.640 | ||||||||||||||
| Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) | ||||||||||||||
| 228707. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) O2(3)+C9H15(12)=S(655) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) | ||||||||||||||
| 228704. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCd,O2_birad) O2(3)+C9H15(12)=S(27694) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCd,O2_birad) | ||||||||||||||
| 228660. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Exact match found for rate rule (O_pri_rad,Cdpri_Csrad) OH(2)+C9H15(12)=O(39)+S(27658) 1.206e+13 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_pri_rad,Cdpri_Csrad) | ||||||||||||||
| 229367. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cdpri_Rrad) for rate rule (C_rad/H/OneDeC,Cdpri_Csrad) C9H15(8)+C9H15(12)=C9H16(1)+S(27658) 9.160e+12 -0.350 -0.130 | ||||||||||||||
| Estimated using template (C_sec_rad,Cdpri_Rrad) for rate rule (C_rad/H/OneDeC,Cdpri_Csrad) | ||||||||||||||
| 229513. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) S(108)+C9H15(12)=S(479)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 229767. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) S(183)+C9H15(12)=S(672)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 230021. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(301)=S(883)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 230301. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(302)=S(1163)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 231294. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) C9H15(12)+S(1589)=S(106)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) | ||||||||||||||
| 231926. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(657)=S(1443)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 232536. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) C9H15(12)+S(1439)=S(106)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) | ||||||||||||||
| 234398. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,Cdpri_Csrad) C9H15(12)+S(3215)=S(2286)+S(27658) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,Cdpri_Csrad) | ||||||||||||||
| 234497. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(8951)=S(9092)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 234651. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs,Cdpri_Csrad) C9H15(12)+C9H15(13)=C9H16(1)+S(27658) 1.928e+12 0.000 -0.130 | ||||||||||||||
| Exact match found for rate rule (C_rad/H2/Cs,Cdpri_Csrad) | ||||||||||||||
| 235656. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cdpri_Csrad) C9H15(12)+S(10759)=C9H14(276)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cdpri_Csrad) | ||||||||||||||
| 237837. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cdpri_Csrad) C9H15(12)+S(22744)=S(3218)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cdpri_Csrad) | ||||||||||||||
| 238565. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,Cdpri_Csrad) C9H15(12)+C9H15(14)=C9H16(1)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,Cdpri_Csrad) | ||||||||||||||
| 238769. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cdpri_Rrad) for rate rule (C_rad/H/TwoDe,Cdpri_Csrad) C9H15(12)+C9H15(12)=C9H16(1)+S(27658) 9.160e+12 -0.350 -0.130 | ||||||||||||||
| Estimated using template (C_sec_rad,Cdpri_Rrad) for rate rule (C_rad/H/TwoDe,Cdpri_Csrad) | ||||||||||||||
| 1022. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) OH(2)+C9H15(8)=O(39)+C9H14(239) 4.820e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) | ||||||||||||||
| 1996. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H15(8)+C9H15(8)=C9H16(1)+C9H14(239) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 2734. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(108)+C9H15(8)=C9H14(239)+S(479) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 3877. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(183)=S(672)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 5398. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(301)=S(883)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 7421. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(302)=S(1163)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 16346. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+S(1589)=C9H14(239)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 24472. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(657)=C9H14(239)+S(1443) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 33770. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+S(1439)=C9H14(239)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 70479. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) C9H15(8)+S(3215)=C9H14(239)+S(2286) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) | ||||||||||||||
| 72772. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(8951)=C9H14(239)+S(9092) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 77088. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) C9H15(8)+C9H15(13)=C9H16(1)+C9H14(239) 2.009e+12 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) | ||||||||||||||
| 106878. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H15(8)+S(10759)=C9H14(239)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 187511. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H15(8)+S(22744)=C9H14(239)+S(3218) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 220152. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+C9H15(14)=C9H16(1)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 228684. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Exact match found for rate rule (O_pri_rad,C/H2/Nd_Csrad) OH(2)+C9H15(12)=O(39)+C9H14(239) 4.820e+13 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_pri_rad,C/H2/Nd_Csrad) | ||||||||||||||
| 229196. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) C9H15(8)+C9H15(12)=C9H16(1)+C9H14(239) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) | ||||||||||||||
| 229672. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) S(108)+C9H15(12)=C9H14(239)+S(479) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 229926. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) S(183)+C9H15(12)=S(672)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 230207. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(301)=S(883)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 230487. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(302)=S(1163)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 231452. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+S(1589)=C9H14(239)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 232032. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(657)=C9H14(239)+S(1443) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 232694. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+S(1439)=C9H14(239)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 234456. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/Nd_Csrad) C9H15(12)+S(3215)=C9H14(239)+S(2286) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/Nd_Csrad) | ||||||||||||||
| 234592. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(8951)=C9H14(239)+S(9092) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 234824. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs,C/H2/Nd_Csrad) C9H15(12)+C9H15(13)=C9H16(1)+C9H14(239) 2.900e+12 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (C_rad/H2/Cs,C/H2/Nd_Csrad) | ||||||||||||||
| 235882. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/Nd_Csrad) C9H15(12)+S(10759)=C9H14(239)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/Nd_Csrad) | ||||||||||||||
| 237969. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/Nd_Csrad) C9H15(12)+S(22744)=C9H14(239)+S(3218) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/Nd_Csrad) | ||||||||||||||
| 238699. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+C9H15(14)=C9H16(1)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 238815. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/Nd_Csrad) C9H15(12)+C9H15(12)=C9H16(1)+C9H14(239) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/Nd_Csrad) | ||||||||||||||
| 26662. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) OH(2)+S(673)=O(39)+S(3673) 4.820e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) | ||||||||||||||
| 28109. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H15(8)+S(673)=C9H16(1)+S(3673) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 28265. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(108)+S(673)=S(479)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 28677. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(183)+S(673)=S(672)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 29089. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(301)=S(883)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 29628. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(302)=S(1163)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 31293. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(673)+S(1589)=S(106)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 32447. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(657)=S(1443)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 36691. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(673)+S(1439)=S(106)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 71535. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) S(673)+S(3215)=S(2286)+S(3673) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) | ||||||||||||||
| 74697. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(8951)=S(9092)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 80581. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) C9H15(13)+S(673)=C9H16(1)+S(3673) 2.009e+12 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) | ||||||||||||||
| 111534. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) S(673)+S(10759)=C9H14(276)+S(3673) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 190412. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) S(673)+S(22744)=S(3218)+S(3673) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 222675. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(14)+S(673)=C9H16(1)+S(3673) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 230003. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_rad/NonDe) S(183)+C9H15(12)=S(3673) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_rad/NonDe) | ||||||||||||||
| 232086. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) C9H15(12)+S(673)=C9H16(1)+S(3673) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) | ||||||||||||||
| 235311. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsHH) C9H15(13)+S(3673)=C9H15(12)+S(10089) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsHH) | ||||||||||||||
| 239636. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Exact match found for rate rule (O_rad/NonDe,C_rad/H/NonDeC) C9H17O(41)+S(655)=S(3673) 6.030e+12 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_rad/NonDe,C_rad/H/NonDeC) | ||||||||||||||
| 11428. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) OH(2)+S(480)=O(39)+S(1745) 4.820e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) | ||||||||||||||
| 12876. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H15(8)+S(480)=C9H16(1)+S(1745) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 13032. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(108)+S(480)=S(479)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 13444. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(183)+S(480)=S(672)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 13856. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(301)+S(480)=S(883)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 14395. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(302)+S(480)=S(1163)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 18033. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(1589)+S(480)=S(106)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 25626. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(657)+S(480)=S(1443)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 35456. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(1439)+S(480)=S(106)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 71093. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) S(3215)+S(480)=S(1745)+S(2286) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) | ||||||||||||||
| 73868. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(8951)=S(1745)+S(9092) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 79083. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) C9H15(13)+S(480)=C9H16(1)+S(1745) 2.009e+12 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) | ||||||||||||||
| 109529. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) S(480)+S(10759)=C9H14(276)+S(1745) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 189153. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) S(480)+S(22744)=S(3218)+S(1745) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 221600. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(14)+S(480)=C9H16(1)+S(1745) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 229749. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_rad/NonDe) S(108)+C9H15(12)=S(1745) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_rad/NonDe) | ||||||||||||||
| 230843. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) C9H15(12)+S(480)=C9H16(1)+S(1745) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) | ||||||||||||||
| 235563. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsHH) C9H15(13)+S(1745)=C9H15(12)+S(10058) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsHH) | ||||||||||||||
| 239339. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
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| ! Template reaction: R_Recombination ! Exact match found for rate rule (O_rad/NonDe,C_rad/H/NonDeC) C9H17O(40)+S(655)=S(1745) 6.030e+12 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_rad/NonDe,C_rad/H/NonDeC) | ||||||||||||||
| 276334. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) C9H17O(40)+S(3673)=C9H17O(41)+S(1745) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(Cs)Cs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 279044. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(1589)+S(3673)=S(1439)+S(1745) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 266861. | ![]() |
⇔ | + ![]() |
1,4_Linear_birad_scission | ||||||||||
|
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| ! Template reaction: 1,4_Linear_birad_scission ! Exact match found for rate rule (RJJ) ! Ea raised from 0.0 to 68.7 kJ/mol to match endothermicity of reaction. S(32308)=S(27658)+S(27658) 1.000e+13 0.000 16.418 | ||||||||||||||
| Exact match found for rate rule (RJJ) Ea raised from 0.0 to 68.7 kJ/mol to match endothermicity of reaction. | ||||||||||||||
| 301666. | ![]() |
⇔ | ![]() |
Birad_recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: Birad_recombination ! Estimated using template (R6,C_rad_out_single,Cpri_rad_out_single) for rate rule (R6,C_rad_out_H/NonDeC,Cpri_rad_out_H/OneDe) S(32308)=S(38026) 5.068e+11 0.069 1.960 | ||||||||||||||
| Estimated using template (R6,C_rad_out_single,Cpri_rad_out_single) for rate rule (R6,C_rad_out_H/NonDeC,Cpri_rad_out_H/OneDe) | ||||||||||||||
| 301699. | ![]() |
⇔ | ![]() |
Birad_recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: Birad_recombination ! Estimated using template (R6,C_rad_out_single,Cpri_rad_out_single) for rate rule (R6,C_rad_out_H/NonDeC,Cpri_rad_out_H/NonDeC) S(32308)=S(38058) 5.068e+11 0.069 1.960 | ||||||||||||||
| Estimated using template (R6,C_rad_out_single,Cpri_rad_out_single) for rate rule (R6,C_rad_out_H/NonDeC,Cpri_rad_out_H/NonDeC) | ||||||||||||||
| 301641. | ![]() |
⇔ | ![]() |
Birad_recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: Birad_recombination ! Estimated using template (R4,C_rad_out_single,Cpri_rad_out_single) for rate rule (R4_SSS,C_rad_out_H/OneDe,Cpri_rad_out_H/OneDe) S(32308)=S(38002) 3.240e+12 -0.305 1.980 | ||||||||||||||
| Estimated using template (R4,C_rad_out_single,Cpri_rad_out_single) for rate rule (R4_SSS,C_rad_out_H/OneDe,Cpri_rad_out_H/OneDe) | ||||||||||||||
| 301689. | ![]() |
⇔ | ![]() |
Birad_recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: Birad_recombination ! Estimated using template (R4,C_rad_out_single,Cpri_rad_out_single) for rate rule (R4_SSS,C_rad_out_H/NonDeC,Cpri_rad_out_H/OneDe) S(32308)=S(38049) 3.240e+12 -0.305 1.980 | ||||||||||||||
| Estimated using template (R4,C_rad_out_single,Cpri_rad_out_single) for rate rule (R4_SSS,C_rad_out_H/NonDeC,Cpri_rad_out_H/OneDe) | ||||||||||||||
| 19941. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_pri_rad) OH(2)+C5H9(10)=C5H10O(50) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_pri_rad) | ||||||||||||||
| 21926. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C5H9(10)+S(672)=C5H10O(50)+S(1439) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 22054. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C5H9(10)+S(479)=C5H10O(50)+S(1589) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 62095. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H17O(41)+C5H10O(50)=C5H9(10)+S(106) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 62097. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H17O(40)+C5H10O(50)=C5H9(10)+S(106) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 65208. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(883)+C5H9(10)=C5H10O(50)+S(2322) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 130379. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C5H9(10)+S(1443)=C5H10O(50)+S(4452) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 143955. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) C9H16(1)+S(4452)=C9H15(8)+C5H10O(50) 4.757e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 143956. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) C9H16(1)+S(4452)=C5H10O(50)+C9H15(12) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) | ||||||||||||||
| 143957. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) C5H10O(50)+C9H15(13)=C9H16(1)+S(4452) 1.440e+01 3.100 8.940 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) | ||||||||||||||
| 143958. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C5H10O(50)+C9H15(14)=C9H16(1)+S(4452) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 144337. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (O_pri,O_rad/NonDeC) OH(2)+C5H10O(50)=O(39)+S(4452) 1.730e+01 3.400 -1.140 | ||||||||||||||
| Exact match found for rate rule (O_pri,O_rad/NonDeC) | ||||||||||||||
| 144342. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+S(4452)=C5H10O(50)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 144535. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+S(4452)=C5H10O(50)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 145420. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(672)+S(4452)=C5H10O(50)+S(183) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 145506. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(479)+S(4452)=S(108)+C5H10O(50) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 145518. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(480)+S(4452)=C5H10O(50)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 146272. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) S(2286)+S(4452)=C5H10O(50)+S(3215) 3.010e+12 0.000 11.920 | ||||||||||||||
| Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) | ||||||||||||||
| 146399. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(673)+S(4452)=C5H10O(50)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 146706. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) S(1439)+S(4452)=C5H10O(50)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 147785. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) C5H10O(50)+S(1439)=S(106)+S(4452) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 147786. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) C5H10O(50)+S(1589)=S(106)+S(4452) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 147890. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(883)+S(4452)=C5H10O(50)+S(301) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 147990. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1163)+S(4452)=C5H10O(50)+S(302) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 148185. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+S(4452)=C5H10O(50)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 148479. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(276)+S(4452)=C5H10O(50)+S(10759) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 148891. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(9092)+S(4452)=C5H10O(50)+S(8951) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 149452. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1443)+S(4452)=C5H10O(50)+S(657) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 149704. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4452)+S(4452)=C5H10O(50)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 186460. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) S(3218)+S(4452)=C5H10O(50)+S(22744) 9.347e+05 2.095 5.343 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) | ||||||||||||||
| 236753. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) C9H15(12)+S(4452)=C5H10O(50)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) | ||||||||||||||
| 236858. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+S(4452)=C5H10O(50)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 46. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,O_pri_rad) C9H16(1)+OH(2)=O(39)+C9H15(15) 2.220e+06 2.000 1.450 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,O_pri_rad) | ||||||||||||||
| 914. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Exact match found for rate rule (R3H_SD,C_rad_out_H/NonDeC,Cd_H_out_singleNd) C9H15(15)=C9H15(8) 2.364e+10 0.860 35.700 | ||||||||||||||
| Exact match found for rate rule (R3H_SD,C_rad_out_H/NonDeC,Cd_H_out_singleNd) | ||||||||||||||
| 1016. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,C_rad/H/CdCs) C9H16(1)+C9H15(15)=C9H16(1)+C9H15(8) 1.564e-02 4.340 -1.600 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,C_rad/H/CdCs) | ||||||||||||||
| 2206. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) C9H15(15)+S(479)=C9H16(1)+S(108) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) | ||||||||||||||
| 3349. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) C9H15(15)+S(672)=C9H16(1)+S(183) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O/H/NonDeO,Cd_rad/NonDeC) for rate rule (ROOH_sec,Cd_rad/NonDeC) | ||||||||||||||
| 4728. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) S(883)+C9H15(15)=C9H16(1)+S(301) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 6750. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(1163)=C9H16(1)+S(302) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 15814. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H15(15)+S(106)=C9H16(1)+S(1589) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 24093. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(1443)=C9H16(1)+S(657) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 33238. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H15(15)+S(106)=C9H16(1)+S(1439) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 37301. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdNd_Orad) C9H15(15)+S(1439)=C9H16(1)+S(4416) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 70286. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/NonDeC) C9H15(15)+S(2286)=C9H16(1)+S(3215) 2.710e+03 2.810 5.860 | ||||||||||||||
| Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/NonDeC) | ||||||||||||||
| 72406. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(9092)=C9H16(1)+S(8951) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 76360. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Estimated using template (RnH,Y_rad_out,XH_out) for rate rule (R4H_DSS,Cd_rad_out_singleNd,Cs_H_out_2H) C9H15(15)=C9H15(13) 2.708e+07 1.580 30.105 | ||||||||||||||
| Estimated using template (RnH,Y_rad_out,XH_out) for rate rule (R4H_DSS,Cd_rad_out_singleNd,Cs_H_out_2H) | ||||||||||||||
| 76436. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,C_rad/H2/Cs) C9H16(1)+C9H15(13)=C9H16(1)+C9H15(15) 2.560e-03 4.340 9.700 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,C_rad/H2/Cs) | ||||||||||||||
| 83894. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+C9H15(15)=C9H16(1)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 83897. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+C9H15(15)=C9H16(1)+C9H14(276) 1.938e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 105984. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,Cd_rad/Cd) C9H15(15)+C9H14(276)=C9H16(1)+S(10759) 6.420e-03 4.340 4.500 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,Cd_rad/Cd) | ||||||||||||||
| 143959. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C5H10O(50)+C9H15(15)=C9H16(1)+S(4452) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 149794. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) C9H15(15)+S(4452)=C9H16(1)+S(4939) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 186934. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd_sec,Cd_sec_rad) for rate rule (Cd/H/CO,Cd_rad/NonDeC) C9H15(15)+S(3218)=C9H16(1)+S(22744) 5.781e-03 4.340 6.104 | ||||||||||||||
| Estimated using template (Cd_sec,Cd_sec_rad) for rate rule (Cd/H/CO,Cd_rad/NonDeC) | ||||||||||||||
| 219638. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_D,Cd_rad_out_singleNd,Cd_H_out_singleNd) C9H15(14)=C9H15(15) 7.880e+11 0.690 44.600 | ||||||||||||||
| Exact match found for rate rule (R2H_D,Cd_rad_out_singleNd,Cd_H_out_singleNd) | ||||||||||||||
| 219693. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,Cd_rad/NonDeC) C9H16(1)+C9H15(14)=C9H16(1)+C9H15(15) 1.112e-02 4.340 4.500 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 228579. | ![]() |
⇔ | ![]() |
intra_H_migration | ||||||||||
|
||||||||||||||
| ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S,C_rad_out_H/OneDe,Cd_H_out_doubleC) C9H15(12)=C9H15(15) 1.876e+11 0.710 62.800 | ||||||||||||||
| Exact match found for rate rule (R2H_S,C_rad_out_H/OneDe,Cd_H_out_doubleC) | ||||||||||||||
| 228632. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,C_rad/H/CdCd) C9H16(1)+C9H15(15)=C9H16(1)+C9H15(12) 1.058e-02 4.340 -4.200 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,C_rad/H/CdCd) | ||||||||||||||
| 260035. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Cdrad) C9H15(8)+C9H15(15)=C9H16(1)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Cdrad) | ||||||||||||||
| 260036. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Cdrad) C9H15(12)+C9H15(15)=C9H16(1)+S(27658) 5.259e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Cdrad) | ||||||||||||||
| 260037. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Cdrad) C9H15(13)+C9H15(15)=C9H16(1)+S(27658) 2.009e+12 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Cdrad) | ||||||||||||||
| 260038. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Cdrad) C9H15(14)+C9H15(15)=C9H16(1)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 260039. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Cdrad) C9H15(15)+C9H15(15)=C9H16(1)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 260373. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Cdrad) OH(2)+C9H15(15)=O(39)+S(27658) 4.820e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Cdrad) | ||||||||||||||
| 261281. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) S(183)+C9H15(15)=S(672)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 261367. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) S(108)+C9H15(15)=S(479)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 262045. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Cdrad) C9H15(15)+S(3215)=S(2286)+S(27658) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Cdrad) | ||||||||||||||
| 263370. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) C9H15(15)+S(1439)=S(106)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 263371. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) C9H15(15)+S(1589)=S(106)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 263472. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(301)=S(883)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 263577. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(302)=S(1163)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 264001. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Cdrad) C9H15(15)+S(10759)=C9H14(276)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Cdrad) | ||||||||||||||
| 264451. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(8951)=S(9092)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 264914. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(657)=S(1443)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 265818. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Cdrad) C9H15(15)+S(22744)=S(3218)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Cdrad) | ||||||||||||||
| 266945. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+C9H15(15)=C9H16(1)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 266956. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+C9H15(15)=C9H16(1)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 276018. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(15)+S(673)=C9H16(1)+S(3673) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 288737. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H15(15)+S(480)=C9H16(1)+S(1745) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 362132. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) C9H15(15)+S(4452)=C5H10O(50)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 275743. | ![]() |
⇔ | + ![]() |
1,4_Linear_birad_scission | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,4_Linear_birad_scission ! Exact match found for rate rule (RJJ) S(33909)=C9H14(239)+S(27658) 1.000e+13 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (RJJ) | ||||||||||||||
| 275728. | ![]() |
⇔ | + ![]() |
1,4_Linear_birad_scission | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,4_Linear_birad_scission ! Exact match found for rate rule (RJJ) S(33894)=C9H14(239)+S(27658) 1.000e+13 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (RJJ) | ||||||||||||||
| 188947. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) C9H17O(41)+S(23663)=S(672)+S(22744) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) | ||||||||||||||
| 189084. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) C9H17O(40)+S(23663)=S(479)+S(22744) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) | ||||||||||||||
| 192576. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) S(883)+S(22744)=C9H15(8)+S(23663) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) | ||||||||||||||
| 192717. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) S(1163)+S(22744)=C9H15(8)+S(23663) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) | ||||||||||||||
| 193972. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) S(3215)+S(23663)=S(9092)+S(22744) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) | ||||||||||||||
| 194639. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) S(1443)+S(22744)=C5H9(10)+S(23663) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) | ||||||||||||||
| 196258. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(23456)=C9H15(8)+S(23663) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 196259. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(23456)=C9H15(12)+S(23663) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 196260. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(23663)=C9H16(1)+S(23456) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 196261. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(23663)=C9H16(1)+S(23456) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 196262. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(23663)=C9H16(1)+S(23456) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 196767. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(23663)=O(39)+S(23456) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 196771. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(23456)=C9H14(239)+S(23663) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 197001. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(23456)=C9H14(276)+S(23663) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 198129. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(672)+S(23456)=S(183)+S(23663) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 198250. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(479)+S(23456)=S(108)+S(23663) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 198261. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(23456)=S(1745)+S(23663) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 199259. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(3215)+S(23663)=S(2286)+S(23456) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 199408. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(23456)=S(3673)+S(23663) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 199831. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(23456)=S(4416)+S(23663) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 201285. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(23663)=S(106)+S(23456) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 201286. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(23663)=S(106)+S(23456) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 201414. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(23456)=S(301)+S(23663) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 201540. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1163)+S(23456)=S(302)+S(23663) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 201777. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(23456)=C9H14(276)+S(23663) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 202124. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(23663)+S(10759)=C9H14(276)+S(23456) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 202662. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(8951)+S(23663)=S(9092)+S(23456) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 203285. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(23456)=S(657)+S(23663) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 203617. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4452)+S(23456)=S(4939)+S(23663) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 204573. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(23663)+S(22744)=S(3218)+S(23456) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 238027. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(23456)=S(23663)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 238149. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(23456)=C9H14(239)+S(23663) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 361653. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4452)+S(23663)=C5H10O(50)+S(23456) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 371324. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(23456)=S(23663)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 109247. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) C9H17O(41)+S(14706)=S(672)+S(10759) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) | ||||||||||||||
| 109456. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) C9H17O(40)+S(14706)=S(479)+S(10759) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) | ||||||||||||||
| 114954. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(883)+S(10759)=C9H15(8)+S(14706) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 115181. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(1163)+S(10759)=C9H15(8)+S(14706) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 117201. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) S(3215)+S(14706)=S(9092)+S(10759) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) | ||||||||||||||
| 117642. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(14364)=C9H15(8)+S(14706) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 117643. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(14364)=C9H15(12)+S(14706) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 117644. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(14706)=C9H16(1)+S(14364) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 117645. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(14706)=C9H16(1)+S(14364) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 117646. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(14706)=C9H16(1)+S(14364) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 118491. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(14706)=O(39)+S(14364) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 118499. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(14364)=C9H14(239)+S(14706) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 118907. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(14364)=C9H14(276)+S(14706) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 120841. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(672)+S(14364)=S(183)+S(14706) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 121038. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(479)+S(14364)=S(108)+S(14706) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 121061. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(14364)=S(1745)+S(14706) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 122735. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(3215)+S(14706)=S(2286)+S(14364) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 122998. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(14364)=S(3673)+S(14706) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 123691. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(14364)=S(4416)+S(14706) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 126101. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(14706)=S(106)+S(14364) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 126102. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(14706)=S(106)+S(14364) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 126330. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(14364)=S(301)+S(14706) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 126544. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1163)+S(14364)=S(302)+S(14706) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 126959. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(14364)=C9H14(276)+S(14706) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 127576. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(10759)+S(14706)=C9H14(276)+S(14364) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 128482. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(8951)+S(14706)=S(9092)+S(14364) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 131799. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(1443)+S(10759)=C5H9(10)+S(14706) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 131952. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(14364)=S(657)+S(14706) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 149158. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4452)+S(14364)=S(4939)+S(14706) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 186187. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(14706)+S(22744)=S(3218)+S(14364) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 235986. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(14364)=S(14706)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 236206. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(14364)=C9H14(239)+S(14706) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 360903. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4452)+S(14706)=C5H10O(50)+S(14364) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 369406. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(14364)=S(14706)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 396381. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CdsJ-Cd) S(23663)+S(10759)=S(14706)+S(22744) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CdsJ-Cd) | ||||||||||||||
| 396536. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(23456)+S(14706)=S(23663)+S(14364) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 399352. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/OneDe) OH(2)+S(57653)=S(14706) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/OneDe) | ||||||||||||||
| 399678. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) C9H17O(40)+S(14706)=S(106)+S(57653) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 399860. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) C9H17O(41)+S(14706)=S(106)+S(57653) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 401689. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(1589)+S(14706)=S(479)+S(57653) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 401947. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) C5H9(10)+S(14706)=C5H10O(50)+S(57653) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 402671. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(1439)+S(14706)=S(672)+S(57653) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 406085. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(4452)+S(14706)=S(1443)+S(57653) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 406742. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(2322)+S(14706)=S(883)+S(57653) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 410925. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/OneDeC,O2_birad) O2(3)+S(57653)=S(60212) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/OneDeC,O2_birad) | ||||||||||||||
| 414549. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(60703)=S(672)+S(57653) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 414788. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(60703)=S(479)+S(57653) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 421050. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(883)+S(57653)=C9H15(8)+S(60703) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 421307. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(1163)+S(57653)=C9H15(8)+S(60703) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 423622. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(3215)+S(60703)=S(9092)+S(57653) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 424923. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(1443)+S(57653)=C5H9(10)+S(60703) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 434431. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-COCsH) S(23663)+S(57653)=S(22744)+S(60703) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-COCsH) | ||||||||||||||
| 434684. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(10759)+S(60703)=S(14706)+S(57653) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 435248. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(60212)=C9H15(8)+S(60703) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 435249. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(60212)=C9H15(12)+S(60703) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 435250. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(60703)=C9H16(1)+S(60212) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 435251. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(60703)=C9H16(1)+S(60212) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 435252. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(60703)=C9H16(1)+S(60212) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 436071. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(60703)=O(39)+S(60212) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 436077. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(60212)=C9H14(239)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 436473. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(60212)=C9H14(276)+S(60703) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 438351. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(183)+S(60703)=S(672)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 438542. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(60703)=S(479)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 438559. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(60212)=S(1745)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 440191. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(3215)+S(60703)=S(2286)+S(60212) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 440444. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(60212)=S(3673)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 441121. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(60212)=S(4416)+S(60703) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 443475. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(60703)=S(106)+S(60212) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 443476. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(60703)=S(106)+S(60212) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 443694. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(60212)=S(301)+S(60703) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 443904. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(302)+S(60703)=S(1163)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 444297. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(60212)=C9H14(276)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 444906. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(10759)+S(60703)=C9H14(276)+S(60212) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 445784. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(8951)+S(60703)=S(9092)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 446891. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(657)+S(60703)=S(1443)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 447431. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4452)+S(60212)=S(4939)+S(60703) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 449057. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(22744)+S(60703)=S(3218)+S(60212) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 450475. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(60212)=S(27658)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 450687. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(60212)=C9H14(239)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 454140. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4452)+S(60703)=C5H10O(50)+S(60212) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 454157. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(60212)=S(27658)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 454835. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(23456)+S(60703)=S(23663)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 455061. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(14364)+S(60703)=S(14706)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 260063. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C/H2/OneDeC,O_pri_rad) for rate rule (C/H2/CdCs,O_pri_rad) OH(2)+S(27658)=O(39)+S(31566) 2.360e+02 3.150 -3.048 | ||||||||||||||
| Estimated using template (C/H2/OneDeC,O_pri_rad) for rate rule (C/H2/CdCs,O_pri_rad) | ||||||||||||||
| 260564. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,C_rad/H/CdCs) C9H15(8)+S(27658)=C9H16(1)+S(31566) 4.580e-03 4.340 11.700 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,C_rad/H/CdCs) | ||||||||||||||
| 260711. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(108)+S(27658)=S(479)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 260862. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(183)+S(27658)=S(672)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 261035. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(301)+S(27658)=S(883)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 261206. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(302)+S(27658)=S(1163)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 261792. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) S(1589)+S(27658)=S(106)+S(31566) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 262150. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(657)+S(27658)=S(1443)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 262562. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) S(1439)+S(27658)=S(106)+S(31566) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 262584. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdNd_Orad) S(1439)+S(31566)=S(4416)+S(27658) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdNd_Orad) | ||||||||||||||
| 263652. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,CO_sec_rad) for rate rule (C/H2/CdCs,CO_rad/NonDe) S(3215)+S(27658)=S(2286)+S(31566) 1.223e+04 2.765 14.735 | ||||||||||||||
| Estimated using template (C_sec,CO_sec_rad) for rate rule (C/H2/CdCs,CO_rad/NonDe) | ||||||||||||||
| 263741. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(8951)+S(27658)=S(9092)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 263904. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,C_rad/H2/Cs) C9H15(13)+S(27658)=C9H16(1)+S(31566) 1.806e-03 4.340 3.500 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,C_rad/H2/Cs) | ||||||||||||||
| 263929. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H15(13)+S(31566)=C9H14(276)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 263931. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC,Cmethyl_Csrad) C9H15(8)+S(31566)=C9H14(276)+S(27658) 6.330e+14 -0.700 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC,Cmethyl_Csrad) | ||||||||||||||
| 264617. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,Cd_rad/Cd) S(10759)+S(27658)=C9H14(276)+S(31566) 7.820e-03 4.340 6.400 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,Cd_rad/Cd) | ||||||||||||||
| 264855. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(14364)+S(27658)=S(14706)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 265226. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) S(4452)+S(27658)=C5H10O(50)+S(31566) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 265244. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) S(4452)+S(31566)=S(4939)+S(27658) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) | ||||||||||||||
| 265910. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C/H2/OneDe,Cd_rad/OneDe) for rate rule (C/H2/CdCs,Cd_rad/CO) S(27658)+S(22744)=S(3218)+S(31566) 6.127e-03 4.340 7.867 | ||||||||||||||
| Estimated using template (C/H2/OneDe,Cd_rad/OneDe) for rate rule (C/H2/CdCs,Cd_rad/CO) | ||||||||||||||
| 266064. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(23456)+S(27658)=S(23663)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 266404. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,Cd_rad/NonDeC) C9H15(14)+S(27658)=C9H16(1)+S(31566) 7.820e-03 4.340 -1.600 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,Cd_rad/NonDeC) | ||||||||||||||
| 266491. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,C_rad/H/CdCd) C9H16(1)+S(31566)=C9H15(12)+S(27658) 1.962e-03 4.340 6.300 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,C_rad/H/CdCd) | ||||||||||||||
| 266824. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Cdrad) C9H15(15)+S(31566)=S(27658)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Cdrad) | ||||||||||||||
| 266825. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cdpri_Rrad) for rate rule (C_rad/H/OneDeC,Cdpri_Csrad) C9H15(12)+S(31566)=S(27658)+S(27658) 4.580e+12 -0.350 -0.130 | ||||||||||||||
| Estimated using template (C_sec_rad,Cdpri_Rrad) for rate rule (C_rad/H/OneDeC,Cdpri_Csrad) | ||||||||||||||
| 266998. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd_sec,O_pri_rad) for rate rule (Cd/H/Cd,O_pri_rad) OH(2)+C9H14(239)=O(39)+S(31566) 1.110e+06 2.000 1.450 | ||||||||||||||
| Estimated using template (Cd_sec,O_pri_rad) for rate rule (Cd/H/Cd,O_pri_rad) | ||||||||||||||
| 267635. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,C_rad/H/CdCs) C9H16(1)+S(31566)=C9H15(8)+C9H14(239) 1.564e-02 4.340 6.400 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,C_rad/H/CdCs) | ||||||||||||||
| 267814. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) S(479)+S(31566)=S(108)+C9H14(239) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) | ||||||||||||||
| 268009. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) S(672)+S(31566)=S(183)+C9H14(239) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (ROOH_sec,Cd_rad/Cd) | ||||||||||||||
| 268224. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(883)+S(31566)=C9H14(239)+S(301) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 268441. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(1163)+S(31566)=C9H14(239)+S(302) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 269199. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(239)+S(1589)=S(106)+S(31566) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 269666. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(1443)+S(31566)=C9H14(239)+S(657) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 270182. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(239)+S(1439)=S(106)+S(31566) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 270243. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdNd_Orad) S(1439)+S(31566)=C9H14(239)+S(4416) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdNd_Orad) | ||||||||||||||
| 271602. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/Cd) S(2286)+S(31566)=C9H14(239)+S(3215) 2.710e+03 2.810 5.860 | ||||||||||||||
| Estimated using template (CO_H,Cd_rad) for rate rule (CO/H/Cs\Cs|Cs,Cd_rad/Cd) | ||||||||||||||
| 271713. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(9092)+S(31566)=C9H14(239)+S(8951) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 271914. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,C_rad/H2/Cs) C9H15(13)+C9H14(239)=C9H16(1)+S(31566) 1.480e-03 4.340 9.700 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,C_rad/H2/Cs) | ||||||||||||||
| 271990. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H15(13)+S(31566)=C9H14(239)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 271992. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cmethyl_Csrad) C9H15(8)+S(31566)=C9H14(239)+C9H14(276) 1.938e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cmethyl_Csrad) | ||||||||||||||
| 272862. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,Cd_rad/Cd) C9H14(239)+S(10759)=C9H14(276)+S(31566) 4.300e-03 4.340 11.300 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,Cd_rad/Cd) | ||||||||||||||
| 273152. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(14706)+S(31566)=C9H14(239)+S(14364) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 273634. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(239)+S(4452)=C5H10O(50)+S(31566) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 273685. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(4452)+S(31566)=C9H14(239)+S(4939) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 274503. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (Cd/H/OneDe,Cd_rad/OneDe) for rate rule (Cd/H/CO,Cd_rad/Cd) S(3218)+S(31566)=C9H14(239)+S(22744) 5.634e-03 4.340 12.567 | ||||||||||||||
| Estimated using template (Cd/H/OneDe,Cd_rad/OneDe) for rate rule (Cd/H/CO,Cd_rad/Cd) | ||||||||||||||
| 274683. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(23663)+S(31566)=C9H14(239)+S(23456) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 275109. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,Cd_rad/NonDeC) C9H15(14)+C9H14(239)=C9H16(1)+S(31566) 6.420e-03 4.340 4.500 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,Cd_rad/NonDeC) | ||||||||||||||
| 275216. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,C_rad/H/CdCd) C9H16(1)+S(31566)=C9H15(12)+C9H14(239) 1.054e-02 4.340 4.800 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,C_rad/H/CdCd) | ||||||||||||||
| 275674. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Cdrad) C9H15(15)+S(31566)=C9H14(239)+S(27658) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Cdrad) | ||||||||||||||
| 275675. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cdpri_Csrad) C9H15(12)+S(31566)=C9H14(239)+S(27658) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,Cdpri_Csrad) | ||||||||||||||
| 275714. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H15(8)+S(31566)=C9H14(239)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 275810. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/Nd_Csrad) C9H15(12)+S(31566)=C9H14(239)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/Nd_Csrad) | ||||||||||||||
| 275814. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H15(8)+S(31566)=C9H14(239)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 288100. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) S(673)+S(31566)=S(3673)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 288313. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) S(673)+S(31566)=C9H14(239)+S(3673) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 300817. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) S(480)+S(31566)=S(1745)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 301030. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) S(480)+S(31566)=C9H14(239)+S(1745) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 372725. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,Cd_rad/NonDeC) C9H15(15)+S(27658)=C9H16(1)+S(31566) 7.820e-03 4.340 -1.600 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,Cd_rad/NonDeC) | ||||||||||||||
| 372875. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/Cd,Cd_rad/NonDeC) C9H15(15)+C9H14(239)=C9H16(1)+S(31566) 6.420e-03 4.340 4.500 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Cd,Cd_rad/NonDeC) | ||||||||||||||
| 451632. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(27658)+S(60212)=S(31566)+S(60703) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 451858. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(31566)+S(60703)=C9H14(239)+S(60212) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 484997. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,Cd_rad/Cd) S(27658)+S(31566)=C9H14(239)+S(31566) 7.820e-03 4.340 6.400 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,Cd_rad/Cd) | ||||||||||||||
| 467725. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (Cd_rad/Cd,O2_birad) O2(3)+S(31566)=S(68087) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (Cd_rad/Cd,O2_birad) | ||||||||||||||
| 470875. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) C9H17O(41)+S(68419)=S(672)+S(31566) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) | ||||||||||||||
| 471083. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) C9H17O(40)+S(68419)=S(479)+S(31566) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CsJ-CsCsH) | ||||||||||||||
| 476574. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(883)+S(31566)=C9H15(8)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 476800. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(1163)+S(31566)=C9H15(8)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 478822. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) S(3215)+S(68419)=S(9092)+S(31566) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) | ||||||||||||||
| 479980. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(1443)+S(31566)=C5H9(10)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 488410. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CdsJ-Cd) S(23663)+S(31566)=S(22744)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CdsJ-Cd) | ||||||||||||||
| 488629. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CdsJ-Cd) S(14706)+S(31566)=S(10759)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CdsJ-Cd) | ||||||||||||||
| 489962. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(31566)+S(60703)=S(57653)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 490428. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(68087)=C9H15(8)+S(68419) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 490429. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(68087)=C9H15(12)+S(68419) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 490430. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(68419)=C9H16(1)+S(68087) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 490431. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(68419)=C9H16(1)+S(68087) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 490432. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(68419)=C9H16(1)+S(68087) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 491287. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(68419)=O(39)+S(68087) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 491295. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(68087)=C9H14(239)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 491711. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(68087)=C9H14(276)+S(68419) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 493667. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(183)+S(68419)=S(672)+S(68087) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 493866. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(68419)=S(479)+S(68087) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 493891. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(68087)=S(1745)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 495587. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(3215)+S(68419)=S(2286)+S(68087) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 495854. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(68087)=S(3673)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 496555. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(68087)=S(4416)+S(68419) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 498991. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(68419)=S(106)+S(68087) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 498992. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(68419)=S(106)+S(68087) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 499222. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(68087)=S(301)+S(68419) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 499440. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1163)+S(68087)=S(302)+S(68419) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 499859. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(68087)=C9H14(276)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 500484. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(10759)+S(68419)=C9H14(276)+S(68087) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 501408. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(8951)+S(68419)=S(9092)+S(68087) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 502565. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(68087)=S(657)+S(68419) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 503125. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4452)+S(68087)=S(4939)+S(68419) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 504803. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(22744)+S(68419)=S(3218)+S(68087) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 506259. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(68087)=S(27658)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 506483. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(68087)=C9H14(239)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 507468. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(27658)+S(68087)=S(31566)+S(68419) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 507698. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(31566)+S(68419)=C9H14(239)+S(68087) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 510103. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4452)+S(68419)=C5H10O(50)+S(68087) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 510128. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(68087)=S(27658)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 510814. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(23456)+S(68419)=S(23663)+S(68087) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 511044. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(14364)+S(68419)=S(14706)+S(68087) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 512381. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(60703)+S(68087)=S(60212)+S(68419) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 513212. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/OneDe) OH(2)+S(73769)=S(68419) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/OneDe) | ||||||||||||||
| 513538. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) C9H17O(40)+S(68419)=S(106)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 513722. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) C9H17O(41)+S(68419)=S(106)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 515578. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(1589)+S(68419)=S(479)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 515843. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) C5H9(10)+S(68419)=C5H10O(50)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 516574. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(1439)+S(68419)=S(672)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 520049. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(4452)+S(68419)=S(1443)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 520716. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(2322)+S(68419)=S(883)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 525128. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cd) S(57653)+S(68419)=S(14706)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cd) | ||||||||||||||
| 526478. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) O2(3)+S(73769)=S(76882) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/CdCs,O2_birad) | ||||||||||||||
| 526481. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/TwoDe,O2_birad) O2(3)+S(73769)=S(76883) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/TwoDe,O2_birad) | ||||||||||||||
| 530622. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(77472)=S(672)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 530904. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(77472)=S(479)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 538177. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(77472)=S(883)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 538476. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(77472)=S(1163)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 541154. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(3215)+S(77472)=S(9092)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 542642. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) S(1443)+S(73769)=C5H9(10)+S(77472) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 553566. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) S(22744)+S(77472)=S(23663)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) | ||||||||||||||
| 553839. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(10759)+S(77472)=S(14706)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 555558. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(57653)+S(77472)=S(60703)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 557209. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(31566)+S(77472)=S(68419)+S(73769) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 557900. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(76882)=C9H15(8)+S(77472) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 557901. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(76882)=C9H15(12)+S(77472) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 557902. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(77472)=C9H16(1)+S(76882) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 557903. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(77472)=C9H16(1)+S(76882) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 557904. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(77472)=C9H16(1)+S(76882) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 558723. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(77472)=O(39)+S(76882) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 558729. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(76882)=C9H14(239)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 559125. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(76882)=C9H14(276)+S(77472) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 561003. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(183)+S(77472)=S(672)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 561194. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(77472)=S(479)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 561211. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(76882)=S(1745)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 562843. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(3215)+S(77472)=S(2286)+S(76882) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 563096. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(76882)=S(3673)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 563773. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(76882)=S(4416)+S(77472) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 566127. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(77472)=S(106)+S(76882) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 566128. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(77472)=S(106)+S(76882) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 566346. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(301)+S(77472)=S(883)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 566556. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(302)+S(77472)=S(1163)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 566949. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(76882)=C9H14(276)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 567558. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(10759)+S(77472)=C9H14(276)+S(76882) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 568436. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(8951)+S(77472)=S(9092)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 569543. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(657)+S(77472)=S(1443)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 570083. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4452)+S(76882)=S(4939)+S(77472) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 571709. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(22744)+S(77472)=S(3218)+S(76882) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 573127. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(76882)=S(27658)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 573339. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(76882)=C9H14(239)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 574284. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(27658)+S(76882)=S(31566)+S(77472) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 574510. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(31566)+S(77472)=C9H14(239)+S(76882) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 576792. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4452)+S(77472)=C5H10O(50)+S(76882) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 576809. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(76882)=S(27658)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 577487. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(23456)+S(77472)=S(23663)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 577713. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(14364)+S(77472)=S(14706)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 578990. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(60212)+S(77472)=S(60703)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 580206. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(77472)+S(68087)=S(76882)+S(68419) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 392942. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/OneDe) OH(2)+S(56378)=S(23663) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/OneDe) | ||||||||||||||
| 393120. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) C9H17O(40)+S(23663)=S(106)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 393227. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) C9H17O(41)+S(23663)=S(106)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 394280. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(1589)+S(23663)=S(479)+S(56378) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 394428. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) C5H9(10)+S(23663)=C5H10O(50)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 394852. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(1439)+S(23663)=S(672)+S(56378) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 396818. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(4452)+S(23663)=S(1443)+S(56378) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 397199. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(2322)+S(23663)=S(883)+S(56378) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 434470. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cd) S(14706)+S(56378)=S(23663)+S(57653) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cd) | ||||||||||||||
| 553611. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cd) S(68419)+S(56378)=S(23663)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cd) | ||||||||||||||
| 618329. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/OneDeC,O2_birad) O2(3)+S(56378)=S(89545) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (C_rad/H/OneDeC,O2_birad) | ||||||||||||||
| 621415. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(89892)=S(480)+S(56378) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 622910. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(89892)=S(673)+S(56378) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 627869. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(3142)+S(56378)=C5H9(10)+S(89892) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 628714. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(884)+S(56378)=C9H15(8)+S(89892) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 636960. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(89545)=S(89892) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 651227. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(89892)=S(1825)+S(94016) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 656130. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(480)+S(94016)=S(1589)+S(89892) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 658216. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(673)+S(94016)=S(1439)+S(89892) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 665130. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(3142)+S(94016)=S(4452)+S(89892) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 666562. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(884)+S(94016)=S(2322)+S(89892) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 679899. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cd_R,CJ) for rate rule (CO/H/Cs,CO_rad/OneDe) S(92288)+S(96713)=S(94016) 1.545e+04 2.316 5.214 | ||||||||||||||
| Estimated using template (Cd_R,CJ) for rate rule (CO/H/Cs,CO_rad/OneDe) | ||||||||||||||
| 694893. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,O2_birad) for rate rule (CO_rad/OneDe,O2_birad) O2(3)+S(92288)=S(98508) 1.672e+13 -0.085 -0.567 | ||||||||||||||
| Estimated using template (Y_rad,O2_birad) for rate rule (CO_rad/OneDe,O2_birad) | ||||||||||||||
| 696679. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) S(672)+S(92288)=C9H17O(41)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) | ||||||||||||||
| 696815. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) S(479)+S(92288)=C9H17O(40)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-Os(H)Cs(CsCsH),CJ) | ||||||||||||||
| 700118. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(883)+S(92288)=C9H15(8)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 700248. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(1163)+S(92288)=C9H15(8)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 701419. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCO,CJ) S(3215)+S(98777)=S(9092)+S(92288) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCO,CJ) | ||||||||||||||
| 701992. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(1443)+S(92288)=C5H9(10)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 706499. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) S(23663)+S(92288)=S(22744)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) | ||||||||||||||
| 706598. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) S(14706)+S(92288)=S(10759)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) | ||||||||||||||
| 707252. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(60703)+S(92288)=S(57653)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 707875. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) S(92288)+S(68419)=S(31566)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCd,CJ) | ||||||||||||||
| 708785. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(92288)+S(77472)=S(73769)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 713643. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(98508)=C9H15(8)+S(98777) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 713644. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(98508)=C9H15(12)+S(98777) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 713645. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(98777)=C9H16(1)+S(98508) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 713646. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(98777)=C9H16(1)+S(98508) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 713647. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(98777)=C9H16(1)+S(98508) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 714088. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(98777)=O(39)+S(98508) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 714090. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(98508)=C9H14(239)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 714280. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(98508)=C9H14(276)+S(98777) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 715248. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(672)+S(98508)=S(183)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 715357. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) S(479)+S(98508)=S(108)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (ROOH_sec,OOC) | ||||||||||||||
| 715364. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(480)+S(98508)=S(1745)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 716238. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) ! Ea raised from 39.0 to 39.7 kJ/mol to match endothermicity of reaction. S(3215)+S(98777)=S(2286)+S(98508) 9.569e-04 4.450 9.493 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) Ea raised from 39.0 to 39.7 kJ/mol to match endothermicity of reaction. | ||||||||||||||
| 716361. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(98508)=S(3673)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 716740. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(98508)=S(4416)+S(98777) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 718028. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(98777)=S(106)+S(98508) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 718029. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1589)+S(98777)=S(106)+S(98508) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 718133. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(98508)=S(301)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 718243. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1163)+S(98508)=S(302)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 718438. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(98508)=C9H14(276)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 718725. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(10759)+S(98777)=C9H14(276)+S(98508) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 719197. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(8951)+S(98777)=S(9092)+S(98508) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 719694. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(98508)=S(657)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 719990. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4452)+S(98508)=S(4939)+S(98777) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 720806. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(22744)+S(98777)=S(3218)+S(98508) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 721496. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(98508)=S(27658)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 721594. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(98508)=C9H14(239)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 722039. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(27658)+S(98508)=S(31566)+S(98777) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 722143. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(31566)+S(98777)=C9H14(239)+S(98508) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 723287. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4452)+S(98777)=C5H10O(50)+S(98508) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 723294. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(98508)=S(27658)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 723590. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(23663)+S(98508)=S(23456)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 723692. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(14706)+S(98508)=S(14364)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 724255. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(60703)+S(98508)=S(60212)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 724785. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(68419)+S(98508)=S(98777)+S(68087) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 725573. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(98508)+S(77472)=S(76882)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 531642. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(77556)=S(480)+S(73769) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 534280. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(77556)=S(673)+S(73769) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 543199. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) S(3142)+S(73769)=C5H9(10)+S(77556) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 544615. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(77556)=S(884)+S(73769) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 557905. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(76882)=S(77556) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 677185. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(77556)+S(56378)=S(73769)+S(89892) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 604965. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) OH(2)+S(87055)=S(77472) 2.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,O_sec_rad) for rate rule (O_pri_rad,O_rad/NonDe) | ||||||||||||||
| 605286. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(40)+S(77472)=S(106)+S(87055) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 605462. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(41)+S(77472)=S(106)+S(87055) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 607229. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(479)+S(87055)=S(1589)+S(77472) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 607479. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C5H9(10)+S(77472)=C5H10O(50)+S(87055) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 608182. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(672)+S(87055)=S(1439)+S(77472) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 611487. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(4452)+S(77472)=S(1443)+S(87055) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 612134. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(2322)+S(77472)=S(883)+S(87055) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 616222. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(14706)+S(87055)=S(57653)+S(77472) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 617582. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(87055)+S(68419)=S(73769)+S(77472) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 636705. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(23663)+S(87055)=S(77472)+S(56378) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 733462. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(77556)=S(1825)+S(87055) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 740181. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(480)+S(87055)=S(1589)+S(77556) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 743031. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(673)+S(87055)=S(1439)+S(77556) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 752489. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(4452)+S(77556)=S(3142)+S(87055) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 754433. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(884)+S(87055)=S(2322)+S(77556) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 773635. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(94016)+S(77556)=S(87055)+S(89892) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 775539. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Csec_Rrad) for rate rule (O_pri_rad,C/H/NdDe_Orad) OH(2)+S(87055)=O(39)+S(109270) 1.210e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Csec_Rrad) for rate rule (O_pri_rad,C/H/NdDe_Orad) | ||||||||||||||
| 776755. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) C9H15(8)+S(87055)=C9H16(1)+S(109270) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) | ||||||||||||||
| 776853. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(108)+S(87055)=S(479)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 777241. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(183)+S(87055)=S(672)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 777629. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(301)+S(87055)=S(883)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 778052. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(302)+S(87055)=S(1163)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 779545. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(1589)+S(87055)=S(106)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 780521. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(657)+S(87055)=S(1443)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 781442. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(1439)+S(87055)=S(106)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 784266. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdDe_Orad) S(3215)+S(87055)=S(2286)+S(109270) 1.810e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdDe_Orad) | ||||||||||||||
| 784419. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(8951)+S(87055)=S(9092)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 784652. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Csec_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdDe_Orad) C9H15(13)+S(87055)=C9H16(1)+S(109270) 5.418e+11 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Csec_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdDe_Orad) | ||||||||||||||
| 786168. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(10759)+S(87055)=C9H14(276)+S(109270) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 786664. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(14364)+S(87055)=S(14706)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 787801. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4452)+S(87055)=C5H10O(50)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 789448. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(22744)+S(87055)=S(3218)+S(109270) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 789734. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(23456)+S(87055)=S(23663)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 790536. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) C9H15(14)+S(87055)=C9H16(1)+S(109270) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 790855. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdDe_Orad) C9H15(12)+S(87055)=C9H16(1)+S(109270) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdDe_Orad) | ||||||||||||||
| 794548. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) C9H15(15)+S(87055)=C9H16(1)+S(109270) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 796034. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(60212)+S(87055)=S(60703)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 796752. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(31566)+S(87055)=C9H14(239)+S(109270) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 797147. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) S(31566)+S(87055)=S(27658)+S(109270) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) | ||||||||||||||
| 797245. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(87055)+S(68087)=S(68419)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 798616. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(87055)+S(76882)=S(109270)+S(77472) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 801562. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(87055)+S(98508)=S(98777)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 526444. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_pri_rad) OH(2)+S(73769)=S(76877) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_pri_rad) | ||||||||||||||
| 530626. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(672)+S(73769)=S(1439)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 530908. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(479)+S(73769)=S(1589)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 537883. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H17O(41)+S(76877)=S(106)+S(73769) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 537885. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H17O(40)+S(76877)=S(106)+S(73769) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 538179. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(883)+S(73769)=S(2322)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 542644. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(1443)+S(73769)=S(4452)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 552646. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-OneDe) for rate rule (O-HCs(CdCsH),CsJ-CdCsH) C5H10O(50)+S(73769)=C5H9(10)+S(76877) 8.748e-06 4.995 45.016 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-OneDe) for rate rule (O-HCs(CdCsH),CsJ-CdCsH) | ||||||||||||||
| 553568. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) S(23663)+S(73769)=S(76877)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 553841. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) S(14706)+S(73769)=S(57653)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 557207. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) S(68419)+S(73769)=S(76877)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 617502. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(73769)+S(77472)=S(87055)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 775526. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) C9H16(1)+S(87055)=C9H15(8)+S(76877) 4.757e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 775527. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) C9H16(1)+S(87055)=C9H15(12)+S(76877) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) | ||||||||||||||
| 775528. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) C9H15(13)+S(76877)=C9H16(1)+S(87055) 1.440e+01 3.100 8.940 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) | ||||||||||||||
| 775529. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H15(14)+S(76877)=C9H16(1)+S(87055) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 775530. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H15(15)+S(76877)=C9H16(1)+S(87055) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 776352. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (O_pri,O_rad/NonDeC) OH(2)+S(76877)=O(39)+S(87055) 1.730e+01 3.400 -1.140 | ||||||||||||||
| Exact match found for rate rule (O_pri,O_rad/NonDeC) | ||||||||||||||
| 776359. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+S(87055)=C9H14(239)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 776754. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+S(87055)=C9H14(276)+S(76877) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 778649. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(672)+S(87055)=S(183)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 778843. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(479)+S(87055)=S(108)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 778863. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(480)+S(87055)=S(1745)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 780501. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) S(2286)+S(87055)=S(3215)+S(76877) 3.010e+12 0.000 11.920 | ||||||||||||||
| Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) | ||||||||||||||
| 780760. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(673)+S(87055)=S(3673)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 781441. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) S(1439)+S(87055)=S(4416)+S(76877) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 783814. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) S(1439)+S(76877)=S(106)+S(87055) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 783815. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) S(1589)+S(76877)=S(106)+S(87055) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 784035. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(883)+S(87055)=S(301)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 784246. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1163)+S(87055)=S(302)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 784651. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+S(87055)=C9H14(276)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 785259. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(276)+S(87055)=S(10759)+S(76877) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 786145. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(9092)+S(87055)=S(8951)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 787258. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1443)+S(87055)=S(657)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 787800. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4452)+S(87055)=S(4939)+S(76877) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 789428. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) S(3218)+S(87055)=S(22744)+S(76877) 9.347e+05 2.095 5.343 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) | ||||||||||||||
| 790854. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) C9H15(12)+S(87055)=S(27658)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) | ||||||||||||||
| 791065. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+S(87055)=C9H14(239)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 792015. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) S(27658)+S(87055)=S(31566)+S(76877) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 792241. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(239)+S(87055)=S(31566)+S(76877) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 794528. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) S(4452)+S(76877)=C5H10O(50)+S(87055) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 794546. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) C9H15(15)+S(87055)=S(27658)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 795211. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(23663)+S(87055)=S(23456)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 795439. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(14706)+S(87055)=S(14364)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 796723. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(60703)+S(87055)=S(60212)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 797943. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(87055)+S(68419)=S(76877)+S(68087) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 799782. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(87055)+S(77472)=S(76877)+S(76882) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 801866. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(87055)+S(98777)=S(76877)+S(98508) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 802655. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(87055)+S(87055)=S(76877)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 342812. | ![]() |
⇔ | ![]() |
1,4_Cyclic_birad_scission | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,4_Cyclic_birad_scission ! Estimated using template (RJJ) for rate rule (R5JJ) S(46323)=S(38049) 4.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (RJJ) for rate rule (R5JJ) | ||||||||||||||
| 26517. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) O(39)+S(3734)=S(673) 1.200e+02 3.150 63.640 | ||||||||||||||
| Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) | ||||||||||||||
| 231282. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(3734)=C9H15(12)+S(480) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 232525. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(3734)=C9H15(12)+S(673) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 236742. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C5H9(10)+S(3734)=C9H15(12)+S(3142) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 237457. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(3734)=S(884)+C9H15(12) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 239001. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(655)=S(3734) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 275870. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (O_pri_rad,C_rad/H/NonDeC) OH(2)+S(3734)=S(3673) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (O_pri_rad,C_rad/H/NonDeC) | ||||||||||||||
| 276338. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) S(106)+S(3734)=C9H17O(40)+S(3673) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 276576. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) S(106)+S(3734)=C9H17O(41)+S(3673) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 279045. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(479)+S(3734)=S(1589)+S(3673) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 279413. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C5H10O(50)+S(3734)=C5H9(10)+S(3673) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 280366. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(672)+S(3734)=S(1439)+S(3673) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 285069. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(1443)+S(3734)=S(3673)+S(4452) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 286015. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(883)+S(3734)=S(2322)+S(3673) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 431393. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) S(3734)+S(14706)=S(3673)+S(57653) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 549897. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) S(3734)+S(76877)=S(3673)+S(73769) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 550040. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) S(3734)+S(68419)=S(3673)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 631472. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) S(3734)+S(23663)=S(3673)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 668734. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(3734)+S(56378)=C9H15(12)+S(89892) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 757401. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) S(3734)+S(73769)=C9H15(12)+S(77556) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 792637. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(3734)+S(77472)=S(3673)+S(87055) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 33163. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) O(39)+S(4451)=S(1439) 1.200e+02 3.150 63.640 | ||||||||||||||
| Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) | ||||||||||||||
| 275898. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Exact match found for rate rule (O_rad/NonDe,O_rad/NonDe) S(1439)+S(4451)=S(3673) 1.810e+12 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_rad/NonDe,O_rad/NonDe) | ||||||||||||||
| 276080. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-Cs(CsCsH)Os(Cs),OsJ-H) OH(2)+S(3673)=S(672)+S(4451) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-Cs(CsCsH)Os(Cs),OsJ-H) | ||||||||||||||
| 288614. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Exact match found for rate rule (O_rad/NonDe,O_rad/NonDe) S(1589)+S(4451)=S(1745) 1.810e+12 0.000 0.000 | ||||||||||||||
| Exact match found for rate rule (O_rad/NonDe,O_rad/NonDe) | ||||||||||||||
| 288799. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-Cs(CsCsH)Os(Cs),OsJ-H) OH(2)+S(1745)=S(479)+S(4451) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-Cs(CsCsH)Os(Cs),OsJ-H) | ||||||||||||||
| 843469. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
||||||||||||||
| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(3734)=S(1825)+S(4451) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 849434. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(480)+S(4451)=S(1589)+S(3734) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 851970. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(673)+S(4451)=S(1439)+S(3734) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 860488. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(4452)+S(3734)=S(3142)+S(4451) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 862250. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(2322)+S(3734)=S(884)+S(4451) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 880229. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(3734)+S(94016)=S(4451)+S(89892) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 883136. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(3734)+S(87055)=S(4451)+S(77556) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 37243. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/De_Cd/H/De,H_OH) O(39)+S(4937)=S(4416) 2.213e+02 3.130 63.335 | ||||||||||||||
| Estimated using template (Cd/monosub_Cd/monosub,H_OH) for rate rule (Cd/H/De_Cd/H/De,H_OH) | ||||||||||||||
| 884762. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Csec_Rrad) for rate rule (O_pri_rad,C/H/NdDe_Orad) OH(2)+S(4451)=O(39)+S(4937) 1.210e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Csec_Rrad) for rate rule (O_pri_rad,C/H/NdDe_Orad) | ||||||||||||||
| 885787. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) C9H15(8)+S(4451)=C9H16(1)+S(4937) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) | ||||||||||||||
| 885883. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(108)+S(4451)=S(479)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 886199. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(183)+S(4451)=S(672)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 886515. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(301)+S(4451)=S(883)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 886882. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(302)+S(4451)=S(1163)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 888109. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(1589)+S(4451)=S(106)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 888932. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(657)+S(4451)=S(1443)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 889691. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(1439)+S(4451)=S(106)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 892017. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdDe_Orad) S(3215)+S(4451)=S(4937)+S(2286) 1.810e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H/NdDe_Orad) | ||||||||||||||
| 892136. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(8951)+S(4451)=S(4937)+S(9092) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 892341. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Csec_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdDe_Orad) C9H15(13)+S(4451)=C9H16(1)+S(4937) 5.418e+11 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Csec_Rrad) for rate rule (C_rad/H2/Cs,C/H/NdDe_Orad) | ||||||||||||||
| 893637. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(4451)+S(10759)=C9H14(276)+S(4937) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 894089. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4451)+S(14364)=S(4937)+S(14706) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 895077. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4451)+S(4452)=C5H10O(50)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 896498. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(4451)+S(22744)=S(3218)+S(4937) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 896768. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4451)+S(23456)=S(4937)+S(23663) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 897468. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) C9H15(14)+S(4451)=C9H16(1)+S(4937) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 897729. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdDe_Orad) C9H15(12)+S(4451)=C9H16(1)+S(4937) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/TwoDe,C/H/NdDe_Orad) | ||||||||||||||
| 900949. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) C9H15(15)+S(4451)=C9H16(1)+S(4937) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 902325. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4451)+S(60212)=S(4937)+S(60703) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 902973. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) S(4451)+S(31566)=C9H14(239)+S(4937) 6.460e+12 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H/NdDe_Orad) | ||||||||||||||
| 903322. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) S(4451)+S(31566)=S(4937)+S(27658) 2.560e+13 -0.350 0.000 | ||||||||||||||
| Estimated using template (C_sec_rad,Csec_Rrad) for rate rule (C_rad/H/OneDeC,C/H/NdDe_Orad) | ||||||||||||||
| 903426. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4451)+S(68087)=S(4937)+S(68419) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 904700. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4451)+S(76882)=S(4937)+S(77472) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 907399. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(4451)+S(98508)=S(4937)+S(98777) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 908387. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4451)+S(87055)=S(4937)+S(76877) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 176. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) OH(2)+C9H17O(40)=O(39)+C9H16O(48) 4.820e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (O_pri_rad,Cpri_Rrad) for rate rule (O_pri_rad,C/H2/De_Csrad) | ||||||||||||||
| 1377. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H15(8)+C9H17O(40)=C9H16(1)+C9H16O(48) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 2275. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(108)+C9H17O(40)=C9H16O(48)+S(479) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 3418. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(183)=C9H16O(48)+S(672) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 4800. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(301)=S(883)+C9H16O(48) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 6822. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(302)=C9H16O(48)+S(1163) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 15882. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+S(1589)=C9H16O(48)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 24135. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(657)=C9H16O(48)+S(1443) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 33306. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+S(1439)=C9H16O(48)+S(106) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 60440. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) O(39)+C9H16O(48)=S(106) 1.200e+02 3.150 63.640 | ||||||||||||||
| Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) | ||||||||||||||
| 70318. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) C9H17O(40)+S(3215)=C9H16O(48)+S(2286) 3.620e+14 0.000 0.000 | ||||||||||||||
| Estimated using template (CO_rad,XH_s_Rrad) for rate rule (CO_rad/NonDe,C/H2/De_Csrad) | ||||||||||||||
| 72451. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(8951)=C9H16O(48)+S(9092) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 76505. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) C9H17O(40)+C9H15(13)=C9H16(1)+C9H16O(48) 2.009e+12 0.000 -0.043 | ||||||||||||||
| Estimated using template (C_pri_rad,Cpri_Rrad) for rate rule (C_rad/H2/Cs,C/H2/De_Csrad) | ||||||||||||||
| 106097. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H17O(40)+S(10759)=C9H16O(48)+C9H14(276) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 117730. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(14364)=C9H16O(48)+S(14706) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 144000. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+S(4452)=C9H16O(48)+C5H10O(50) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 187012. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H17O(40)+S(22744)=C9H16O(48)+S(3218) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 196310. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(23456)=C9H16O(48)+S(23663) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 219749. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+C9H15(14)=C9H16(1)+C9H16O(48) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 228695. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_pri_rad) OH(2)+C9H15(12)=C9H16O(48) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (C_rad/H/CdCs,O_pri_rad) | ||||||||||||||
| 228709. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) C9H17O(40)+C9H15(12)=C9H16(1)+C9H16O(48) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/TwoDe,C/H2/De_Csrad) | ||||||||||||||
| 230708. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C9H15(12)+S(672)=C9H16O(48)+S(1439) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 230839. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C9H15(12)+S(479)=C9H16O(48)+S(1589) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 234105. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H17O(41)+C9H16O(48)=C9H15(12)+S(106) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 234107. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H17O(40)+C9H16O(48)=C9H15(12)+S(106) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 234248. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(883)+C9H15(12)=C9H16O(48)+S(2322) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 236393. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C9H15(12)+S(1443)=C9H16O(48)+S(4452) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 267397. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/Nd_Cd/H/De,H_OH) O(39)+C9H14(239)=C9H16O(48) 4.080e+02 3.110 63.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/Nd_Cd/H/De,H_OH) | ||||||||||||||
| 287482. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H16O(48)+S(3734)=C9H15(12)+S(3673) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 361936. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-OneDe) for rate rule (O-HCs(CdCsH),CsJ-CdCsH) C9H16O(48)+C5H9(10)=C5H10O(50)+C9H15(12) 8.748e-06 4.995 45.016 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-OneDe) for rate rule (O-HCs(CdCsH),CsJ-CdCsH) | ||||||||||||||
| 363113. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+C9H15(15)=C9H16(1)+C9H16O(48) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 397752. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) C9H15(12)+S(23663)=C9H16O(48)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 407719. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) C9H15(12)+S(14706)=C9H16O(48)+S(57653) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 435334. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(60212)=C9H16O(48)+S(60703) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 467728. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) C9H17O(40)+S(31566)=C9H16O(48)+C9H14(239) 1.292e+13 -0.140 0.000 | ||||||||||||||
| Estimated using template (Cd_rad,XH_s_Rrad) for rate rule (Cd_rad/OneDe,C/H2/De_Csrad) | ||||||||||||||
| 468006. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) C9H17O(40)+S(31566)=C9H16O(48)+S(27658) 2.630e+04 2.000 0.570 | ||||||||||||||
| Estimated using template (C_sec_rad,Cpri_Rrad) for rate rule (C_rad/H/OneDeC,C/H2/De_Csrad) | ||||||||||||||
| 490518. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(68087)=C9H16O(48)+S(68419) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 521709. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) C9H15(12)+S(68419)=C9H16O(48)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CdCsH) | ||||||||||||||
| 557986. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(76882)=C9H16O(48)+S(77472) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 613092. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C9H15(12)+S(77472)=C9H16O(48)+S(87055) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 713687. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(98508)=C9H16O(48)+S(98777) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 775611. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+S(87055)=C9H16O(48)+S(76877) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 827983. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-OneDe) for rate rule (O-HCs(CdCsH),CsJ-CdCsH) C9H16O(48)+S(73769)=C9H15(12)+S(76877) 8.748e-06 4.995 45.016 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-OneDe) for rate rule (O-HCs(CdCsH),CsJ-CdCsH) | ||||||||||||||
| 884749. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) C9H16(1)+S(4451)=C9H15(8)+C9H16O(48) 4.757e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 884750. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) C9H16(1)+S(4451)=C9H16O(48)+C9H15(12) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,O_rad/NonDeC) | ||||||||||||||
| 884751. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) C9H16O(48)+C9H15(13)=C9H16(1)+S(4451) 1.440e+01 3.100 8.940 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,O_rad/NonDeC) | ||||||||||||||
| 884752. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H16O(48)+C9H15(14)=C9H16(1)+S(4451) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 884753. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) C9H16O(48)+C9H15(15)=C9H16(1)+S(4451) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeC,Cd_rad/NonDeC) | ||||||||||||||
| 884827. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H17O(40)+S(4451)=C9H16O(48)+C9H16O(48) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 885431. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (O_pri,O_rad/NonDeC) OH(2)+C9H16O(48)=O(39)+S(4451) 1.730e+01 3.400 -1.140 | ||||||||||||||
| Exact match found for rate rule (O_pri,O_rad/NonDeC) | ||||||||||||||
| 885437. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(8)+S(4451)=C9H16O(48)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 885786. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) C9H15(8)+S(4451)=C9H16O(48)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cmethyl_Csrad) | ||||||||||||||
| 887383. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(672)+S(4451)=C9H16O(48)+S(183) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 887537. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) S(479)+S(4451)=S(108)+C9H16O(48) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (ROOH_sec,O_rad/NonDeC) | ||||||||||||||
| 887557. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(480)+S(4451)=C9H16O(48)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 888914. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) S(2286)+S(4451)=C9H16O(48)+S(3215) 3.010e+12 0.000 11.920 | ||||||||||||||
| Estimated using template (CO_sec,O_sec_rad) for rate rule (CO/H/Cs\Cs|Cs,O_rad/NonDeC) | ||||||||||||||
| 889139. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) S(673)+S(4451)=C9H16O(48)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 889690. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) S(1439)+S(4451)=C9H16O(48)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdNd_Orad) | ||||||||||||||
| 891626. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) C9H16O(48)+S(1439)=S(106)+S(4451) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 891627. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) C9H16O(48)+S(1589)=S(106)+S(4451) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 891817. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(883)+S(4451)=C9H16O(48)+S(301) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 891997. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1163)+S(4451)=C9H16O(48)+S(302) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 892340. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) C9H15(13)+S(4451)=C9H16O(48)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Csrad) | ||||||||||||||
| 892874. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(276)+S(4451)=C9H16O(48)+S(10759) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 893616. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(9092)+S(4451)=C9H16O(48)+S(8951) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 894623. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1443)+S(4451)=C9H16O(48)+S(657) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 895076. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4451)+S(4452)=C9H16O(48)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 896480. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) S(3218)+S(4451)=C9H16O(48)+S(22744) 9.347e+05 2.095 5.343 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/CO,O_rad/NonDeC) | ||||||||||||||
| 897728. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) C9H15(12)+S(4451)=C9H16O(48)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,Cdpri_Csrad) | ||||||||||||||
| 897917. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) C9H15(12)+S(4451)=C9H16O(48)+C9H14(239) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/Nd_Csrad) | ||||||||||||||
| 898751. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) S(4451)+S(27658)=C9H16O(48)+S(31566) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCs,O_rad/NonDeC) | ||||||||||||||
| 898953. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) C9H14(239)+S(4451)=C9H16O(48)+S(31566) 9.347e+05 2.095 5.541 | ||||||||||||||
| Estimated using average of templates (X_H,O_sec_rad) + (Cd_H,O_rad) for rate rule (Cd/H/Cd,O_rad/NonDeC) | ||||||||||||||
| 900928. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) C5H10O(50)+S(4451)=C9H16O(48)+S(4452) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 900947. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) C9H15(15)+S(4451)=C9H16O(48)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H2/De_Cdrad) | ||||||||||||||
| 901570. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4451)+S(23663)=C9H16O(48)+S(23456) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 901773. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4451)+S(14706)=C9H16O(48)+S(14364) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 902946. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4451)+S(60703)=C9H16O(48)+S(60212) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 904060. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4451)+S(68419)=C9H16O(48)+S(68087) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 905754. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4451)+S(77472)=C9H16O(48)+S(76882) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 907703. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(4451)+S(98777)=C9H16O(48)+S(98508) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 908386. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4451)+S(87055)=C9H16O(48)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 909242. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) S(4451)+S(76877)=C9H16O(48)+S(87055) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeC,O_rad/NonDeC) | ||||||||||||||
| 909970. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) S(4451)+S(4451)=C9H16O(48)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeC,C/H/NdDe_Orad) | ||||||||||||||
| 51384. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
||||||||||||||
| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) O(39)+S(6653)=S(674) 1.200e+02 3.150 63.640 | ||||||||||||||
| Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) | ||||||||||||||
| 233360. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(6653)=C9H15(12)+S(481) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 233970. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(6653)=C9H15(12)+S(674) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 238552. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C5H9(10)+S(6653)=C9H15(12)+S(3405) 2.034e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 239002. | + ![]() |
⇔ | ![]() |
R_Addition_MultipleBond | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) C9H16(1)+S(655)=S(6653) 9.240e+01 3.090 7.200 | ||||||||||||||
| Exact match found for rate rule (Cds-CsH_Cds-CsH,OJ-Os) | ||||||||||||||
| 288586. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (Y_rad,Y_rad) for rate rule (O_pri_rad,C_rad/H/NonDeC) OH(2)+S(6653)=S(1745) 1.000e+13 0.000 0.000 | ||||||||||||||
| Estimated using template (Y_rad,Y_rad) for rate rule (O_pri_rad,C_rad/H/NonDeC) | ||||||||||||||
| 289056. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) S(106)+S(6653)=C9H17O(40)+S(1745) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 289294. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) S(106)+S(6653)=C9H17O(41)+S(1745) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 291762. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(479)+S(6653)=S(1589)+S(1745) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 292130. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C5H10O(50)+S(6653)=C5H9(10)+S(1745) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 293083. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(672)+S(6653)=S(1439)+S(1745) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 297786. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(1443)+S(6653)=S(1745)+S(4452) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 298732. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(883)+S(6653)=S(2322)+S(1745) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 300199. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) C9H16O(48)+S(6653)=C9H15(12)+S(1745) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 431859. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) S(6653)+S(14706)=S(1745)+S(57653) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 550440. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) S(6653)+S(76877)=S(1745)+S(73769) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs,CsJ-CsCsH) for rate rule (O-HCs(CdCsH),CsJ-CsCsH) | ||||||||||||||
| 550583. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) S(6653)+S(68419)=S(1745)+S(73769) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 631778. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) S(6653)+S(23663)=S(1745)+S(56378) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs,CsJ-CsCsH) | ||||||||||||||
| 793020. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(6653)+S(77472)=S(1745)+S(87055) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 867595. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) S(3673)+S(6653)=S(1745)+S(3734) 2.086e-03 4.623 36.696 | ||||||||||||||
| Estimated using template (O-HCs(NonDe),CsJ-CsCsH) for rate rule (O-HCs(CsCsH),CsJ-CsCsH) | ||||||||||||||
| 888542. | ![]() |
⇔ | + ![]() |
Cyclic_Ether_Formation | ||||||||||
|
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| ! Template reaction: Cyclic_Ether_Formation ! Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) S(6653)=S(1825)+S(4451) 1.380e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (R2OOR_S,C_sec_rad_intra) for rate rule (R2OOR_S,C_rad/H/NonDeC_intra) | ||||||||||||||
| 890707. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
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| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(481)+S(4451)=S(1589)+S(6653) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 891466. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(674)+S(4451)=S(1439)+S(6653) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 897439. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) S(4452)+S(6653)=S(3405)+S(4451) 6.833e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-Cs) | ||||||||||||||
| 9029. | + ![]() |
⇔ | ![]() |
1,3_Insertion_ROR | ||||||||||
|
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| ! Template reaction: 1,3_Insertion_ROR ! Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) O(39)+S(1441)=S(672) 1.200e+02 3.150 63.640 | ||||||||||||||
| Exact match found for rate rule (Cd/H/De_Cd/H/Nd,H_OH) | ||||||||||||||
| 230704. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(41)+S(1441)=C9H15(12)+S(672) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 230835. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) C9H17O(40)+S(1441)=C9H15(12)+S(479) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CsCsH) | ||||||||||||||
| 234246. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(1441)=S(883)+C9H15(12) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 234389. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C9H15(8)+S(1441)=C9H15(12)+S(1163) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 235648. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(1441)+S(3215)=C9H15(12)+S(9092) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 236391. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) C5H9(10)+S(1441)=C9H15(12)+S(1443) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 238996. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) C9H16(1)+S(655)=C9H15(8)+S(1441) 2.964e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 238997. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) C9H16(1)+S(655)=C9H15(12)+S(1441) 2.379e+08 1.078 10.393 | ||||||||||||||
| Estimated using template (C_sec,O_sec_rad) for rate rule (C/H2/CdCd,OOC) | ||||||||||||||
| 238998. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs,OOC) C9H15(13)+S(1441)=C9H16(1)+S(655) 7.985e-01 3.338 1.162 | ||||||||||||||
| Exact match found for rate rule (C/H3/Cs,OOC) | ||||||||||||||
| 238999. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(14)+S(1441)=C9H16(1)+S(655) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 239000. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (Cd/H/NonDeC,OOC) C9H15(15)+S(1441)=C9H16(1)+S(655) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Exact match found for rate rule (Cd/H/NonDeC,OOC) | ||||||||||||||
| 239074. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H17O(40)+S(655)=C9H16O(48)+S(1441) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 239675. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) OH(2)+S(1441)=O(39)+S(655) 2.921e+04 2.467 -0.722 | ||||||||||||||
| Estimated using template (O_sec,O_pri_rad) for rate rule (O/H/NonDeO,O_pri_rad) | ||||||||||||||
| 239680. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(8)+S(655)=C9H14(239)+S(1441) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 240030. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) C9H15(8)+S(655)=S(1441)+C9H14(276) 2.056e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cmethyl_Csrad) | ||||||||||||||
| 241610. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(183)+S(1441)=S(672)+S(655) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 241761. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(108)+S(1441)=S(655)+S(479) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 241778. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(655)+S(480)=S(1441)+S(1745) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 243130. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) S(1441)+S(3215)=S(655)+S(2286) 9.569e-04 4.450 0.540 | ||||||||||||||
| Exact match found for rate rule (CO/H/Cs\Cs|Cs,OOC) | ||||||||||||||
| 243349. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) S(673)+S(655)=S(1441)+S(3673) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 243896. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) S(1439)+S(655)=S(1441)+S(4416) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdNd_Orad) | ||||||||||||||
| 245814. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1439)+S(1441)=S(655)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 245815. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1441)+S(1589)=S(655)+S(106) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 246001. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(883)+S(655)=S(1441)+S(301) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 246179. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1163)+S(655)=S(1441)+S(302) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 246510. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) C9H15(13)+S(655)=S(1441)+C9H14(276) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Csrad) | ||||||||||||||
| 247045. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(1441)+S(10759)=C9H14(276)+S(655) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 247779. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1441)+S(8951)=S(655)+S(9092) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 248780. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1443)+S(655)=S(1441)+S(657) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 249230. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(655)+S(4452)=S(1441)+S(4939) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 250632. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) S(1441)+S(22744)=S(655)+S(3218) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/CO) | ||||||||||||||
| 251872. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) C9H15(12)+S(655)=S(1441)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,Cdpri_Csrad) | ||||||||||||||
| 252062. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) C9H15(12)+S(655)=C9H14(239)+S(1441) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/Nd_Csrad) | ||||||||||||||
| 266701. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs,OOC) S(655)+S(27658)=S(1441)+S(31566) 1.482e-02 4.313 8.016 | ||||||||||||||
| Exact match found for rate rule (C/H2/CdCs,OOC) | ||||||||||||||
| 275476. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) S(1441)+S(31566)=C9H14(239)+S(655) 4.375e-01 3.590 -4.030 | ||||||||||||||
| Estimated using template (O_sec,Cd_sec_rad) for rate rule (O/H/NonDeO,Cd_rad/Cd) | ||||||||||||||
| 276081. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-H) OH(2)+S(3673)=S(1439)+S(1441) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-H) | ||||||||||||||
| 288800. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-H) OH(2)+S(1745)=S(1441)+S(1589) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-COss,OsJ-H) | ||||||||||||||
| 362029. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1441)+S(4452)=C5H10O(50)+S(655) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 372202. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) C9H15(15)+S(655)=S(1441)+S(27658) 1.370e+10 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H2/De_Cdrad) | ||||||||||||||
| 397750. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) S(1441)+S(22744)=C9H15(12)+S(23663) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-CO) | ||||||||||||||
| 397865. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1441)+S(23456)=S(655)+S(23663) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 407717. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(1441)+S(10759)=C9H15(12)+S(14706) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 407915. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1441)+S(14364)=S(655)+S(14706) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 464037. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) S(1441)+S(57653)=C9H15(12)+S(60703) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-COCsH) | ||||||||||||||
| 464235. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(655)+S(60703)=S(1441)+S(60212) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 521711. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) S(1441)+S(31566)=C9H15(12)+S(68419) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CdsJ-Cd) | ||||||||||||||
| 521903. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1441)+S(68087)=S(655)+S(68419) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 613090. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) S(1441)+S(73769)=C9H15(12)+S(77472) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CsJ-CdCsH) | ||||||||||||||
| 613288. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(655)+S(77472)=S(1441)+S(76882) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 730447. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) S(1441)+S(92288)=C9H15(12)+S(98777) 1.017e+00 3.662 29.959 | ||||||||||||||
| Estimated using template (O-RR,CJ) for rate rule (O-OsCs,CJ) | ||||||||||||||
| 730544. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) S(1441)+S(98508)=S(655)+S(98777) 9.200e-02 3.960 6.630 | ||||||||||||||
| Estimated using template (O/H/NonDeO,O_rad/NonDeO) for rate rule (O/H/NonDeO,OOC) | ||||||||||||||
| 791168. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(655)+S(87055)=S(1441)+S(109270) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 828179. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1441)+S(87055)=S(655)+S(76877) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 884807. | + ![]() |
⇔ | ![]() |
R_Recombination | ||||||||||
|
||||||||||||||
| ! Template reaction: R_Recombination ! Estimated using template (O_sec_rad,O_pri_rad) for rate rule (O_rad/NonDe,O_pri_rad) OH(2)+S(4451)=S(1441) 1.205e+12 0.000 0.000 | ||||||||||||||
| Estimated using template (O_sec_rad,O_pri_rad) for rate rule (O_rad/NonDe,O_pri_rad) | ||||||||||||||
| 887396. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(672)+S(4451)=S(1439)+S(1441) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 887550. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(479)+S(4451)=S(1441)+S(1589) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 891646. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(41)+S(1441)=S(106)+S(4451) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 891648. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) C9H17O(40)+S(1441)=S(106)+S(4451) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 891823. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(883)+S(4451)=S(1441)+S(2322) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 894627. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(1443)+S(4451)=S(1441)+S(4452) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 898014. | + ![]() |
⇔ | + ![]() |
Disproportionation | ||||||||||
|
||||||||||||||
| ! Template reaction: Disproportionation ! Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) S(655)+S(4451)=S(1441)+S(4937) 6.852e+09 1.004 -0.598 | ||||||||||||||
| Estimated using template (O_rad,XH_s_Rrad) for rate rule (O_rad/NonDeO,C/H/NdDe_Orad) | ||||||||||||||
| 899284. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(1441)+S(3734)=S(3673)+S(4451) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 899602. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) S(1441)+S(6653)=S(1745)+S(4451) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CsCsH) | ||||||||||||||
| 900939. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C5H9(10)+S(1441)=C5H10O(50)+S(4451) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 901576. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(4451)+S(23663)=S(1441)+S(56378) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 901783. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(4451)+S(14706)=S(1441)+S(57653) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 904074. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) S(4451)+S(68419)=S(1441)+S(73769) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs,OsJ-Cs) | ||||||||||||||
| 905762. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) S(4451)+S(77472)=S(1441)+S(87055) 3.416e+00 3.846 62.342 | ||||||||||||||
| Estimated using template (O-RR,OJ) for rate rule (O-HOs(Cs),OsJ-Cs) | ||||||||||||||
| 909257. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) S(1441)+S(73769)=S(4451)+S(76877) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
| 932923. | + ![]() |
⇔ | + ![]() |
H_Abstraction | ||||||||||
|
||||||||||||||
| ! Template reaction: H_Abstraction ! Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) S(1441)+S(4451)=C9H16O(48)+S(655) 3.557e+00 3.467 7.980 | ||||||||||||||
| Estimated using template (O_sec,O_sec_rad) for rate rule (O/H/NonDeO,O_rad/NonDeC) | ||||||||||||||
| 939977. | + ![]() |
⇔ | + ![]() |
Substitution_O | ||||||||||
|
||||||||||||||
| ! Template reaction: Substitution_O ! Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) C9H15(12)+S(1441)=C9H16O(48)+S(4451) 2.768e+04 2.545 9.350 | ||||||||||||||
| Estimated using template (O-HOs,CsJ) for rate rule (O-HOs(Cs),CsJ-CdCsH) | ||||||||||||||
.png)
.png)
.png)
![CCC=CC[CH]C(O)CC(40) CCC=CC[CH]C(O)CC(40)](species/CCC=CC[CH]C(O)CC(40).png)
![CC[CH]C(O)CC=CCC(41) CC[CH]C(O)CC=CCC(41)](species/CC[CH]C(O)CC=CCC(41).png)
.png)
![C[CH]C=CCC=CCC(8) C[CH]C=CCC=CCC(8)](species/C[CH]C=CCC=CCC(8).png)
![CCC=CCC(O[O])C(O)CC(108) CCC=CCC(O[O])C(O)CC(108)](species/CCC=CCC(O[O])C(O)CC(108).png)
 CCC=CCC(O)C(CC)O[O](183)](species/CCC=CCC(O)C(CC)O[O](183).png)
 CC=CC(CC=CCC)O[O](301)](species/CC=CC(CC=CCC)O[O](301).png)
 CCC=CCC=CC(C)O[O](302)](species/CCC=CCC=CC(C)O[O](302).png)
C(CC)OO(672).png)
C(O)CC(479).png)
![CCC=CC[CH]C(CC)OOC(CC=CCC)C(O)CC(480) CCC=CC[CH]C(CC)OOC(CC=CCC)C(O)CC(480)](species/CCC=CC[CH]C(CC)OOC(CC=CCC)C(O)CC(480).png)
![CCC=CCC([O])C(O)CC(1589) CCC=CCC([O])C(O)CC(1589)](species/CCC=CCC([O])C(O)CC(1589).png)
.png)
![[CH2]C=CCC(10) [CH2]C=CCC(10)](species/[CH2]C=CCC(10).png)
C=O(2286).png)
 C=CC(CC)O[O](657)](species/C=CC(CC)O[O](657).png)
![CCC=CC[CH]C(CC)OOC(CC)C(O)CC=CCC(673) CCC=CC[CH]C(CC)OOC(CC)C(O)CC=CCC(673)](species/CCC=CC[CH]C(CC)OOC(CC)C(O)CC=CCC(673).png)
![CCC=CCC(O)C([O])CC(1439) CCC=CCC(O)C([O])CC(1439)](species/CCC=CCC(O)C([O])CC(1439).png)
C(=O)CC(4416).png)
![CC[CH]C(CC=CCC)OOC(CC=CCC)C(O)CC(481) CC[CH]C(CC=CCC)OOC(CC=CCC)C(O)CC(481)](species/CC[CH]C(CC=CCC)OOC(CC=CCC)C(O)CC(481).png)
 CCC=CCO[O](2844)](species/CCC=CCO[O](2844).png)
![CC[CH]C(CC=CCC)OOC(CC)C(O)CC=CCC(674) CC[CH]C(CC=CCC)OOC(CC)C(O)CC=CCC(674)](species/CC[CH]C(CC=CCC)OOC(CC)C(O)CC=CCC(674).png)
C(O)CC(106).png)
OO(883).png)
OO(1163).png)
![CCC(O)[C]=O(3215) CCC(O)[C]=O(3215)](species/CCC(O)[C]=O(3215).png)
 CCC(O)C(=O)O[O](8951)](species/CCC(O)C(=O)O[O](8951).png)
![[CH2]CC=CCC=CCC(13) [CH2]CC=CCC=CCC(13)](species/[CH2]CC=CCC=CCC(13).png)
.png)
C(O)CC=CCC(10089).png)
C(O)CC(10058).png)
C(=O)OO(9092).png)
![C=C[C]=CCC=CCC(10759) C=C[C]=CCC=CCC(10759)](species/C=C[C]=CCC=CCC(10759).png)
 C=CC(=CCC=CCC)O[O](14364)](species/C=CC(=CCC=CCC)O[O](14364).png)
OO(1443).png)
![C=CC(CC)OOC([CH]CC=CCC)CC(3142) C=CC(CC)OOC([CH]CC=CCC)CC(3142)](species/C=CC(CC)OOC([CH]CC=CCC)CC(3142).png)
![C=CC([O])CC(4452) C=CC([O])CC(4452)](species/C=CC([O])CC(4452).png)
CC(4939).png)
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